data_RGC
#

_chem_comp.id                                   RGC
_chem_comp.name                                 "REIDISPONGIOLIDE C"
_chem_comp.type                                 NON-POLYMER
_chem_comp.pdbx_type                            HETAIN
_chem_comp.formula                              "C52 H84 O14"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        
;(4R,5R,9S,10S,11S)-4,10-DIMETHOXY-5,9-DIMETHYL-6-OXO-11-((3R,5Z,7Z,11S,12S,13Z,15R,17S,18S,19Z,21S,23S,24R,25R)-3,15,17
,21,23-PENTAMETHOXY-5,12,18,24-TETRAMETHYL-9,27-DIOXO-10,26-DIOXABICYCLO[23.3.1]NONACOSA-1(28),5,7,13,19-PENTAEN-11-YL)D
ODECANOIC ACID
;

_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2005-08-30
_chem_comp.pdbx_modified_date                   2020-06-17
_chem_comp.pdbx_ambiguous_flag                  N
_chem_comp.pdbx_release_status                  REL
_chem_comp.pdbx_replaced_by                     ?
_chem_comp.pdbx_replaces                        ?
_chem_comp.formula_weight                       933.215
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    RGC
_chem_comp.pdbx_model_coordinates_details       ?
_chem_comp.pdbx_model_coordinates_missing_flag  Y
_chem_comp.pdbx_ideal_coordinates_details       ?
_chem_comp.pdbx_ideal_coordinates_missing_flag  N
_chem_comp.pdbx_model_coordinates_db_code       2ASP
_chem_comp.pdbx_subcomponent_list               ?
_chem_comp.pdbx_processing_site                 RCSB
#   #
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.alt_atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.charge
_chem_comp_atom.pdbx_align
_chem_comp_atom.pdbx_aromatic_flag
_chem_comp_atom.pdbx_leaving_atom_flag
_chem_comp_atom.pdbx_stereo_config
_chem_comp_atom.model_Cartn_x
_chem_comp_atom.model_Cartn_y
_chem_comp_atom.model_Cartn_z
_chem_comp_atom.pdbx_model_Cartn_x_ideal
_chem_comp_atom.pdbx_model_Cartn_y_ideal
_chem_comp_atom.pdbx_model_Cartn_z_ideal
_chem_comp_atom.pdbx_component_atom_id
_chem_comp_atom.pdbx_component_comp_id
_chem_comp_atom.pdbx_ordinal
RGC  O1    O1    O  0  1  N  N  N  133.608  15.192   5.664   3.079   -3.085  -4.804  O1    RGC    1  
RGC  C1    C1    C  0  1  N  N  N  134.765  14.856   5.767   3.115   -3.656  -3.726  C1    RGC    2  
RGC  O25   O25   O  0  1  N  N  N  135.823  15.586   5.314   2.439   -3.322  -2.595  O25   RGC    3  
RGC  C2    C2    C  0  1  N  N  N  135.252  13.562   6.383   3.942   -4.841  -3.409  C2    RGC    4  
RGC  C3    C3    C  0  1  N  N  N  134.332  12.698   6.813   4.732   -5.380  -4.349  C3    RGC    5  
RGC  C4    C4    C  0  1  N  N  N  134.785  11.372   7.420   5.582   -6.520  -4.077  C4    RGC    6  
RGC  C5    C5    C  0  1  N  N  N  133.943  10.418   7.869   6.365   -7.190  -4.945  C5    RGC    7  
RGC  C38   C38   C  0  1  N  N  N  132.380  10.553   7.851   6.530   -6.872  -6.407  C38   RGC    8  
RGC  C6    C6    C  0  1  N  N  N  134.652   9.171   8.397   7.196   -8.362  -4.444  C6    RGC    9  
RGC  C7    C7    C  0  1  N  N  R  134.484   9.030   9.925   6.365   -9.642  -4.279  C7    RGC   10  
RGC  O7    O7    O  0  1  N  N  N  133.068   8.520  10.091   5.979  -10.137  -5.562  O7    RGC   11  
RGC  C48   C48   C  0  1  N  N  N  132.585   8.620  11.528   7.112  -10.457  -6.352  C48   RGC   12  
RGC  C8    C8    C  0  1  N  N  N  135.486   7.998  10.452   7.182  -10.745  -3.584  C8    RGC   13  
RGC  C9    C9    C  0  1  N  N  N  136.874   8.511  10.373   6.296  -11.845  -3.051  C9    RGC   14  
RGC  C39   C39   C  0  1  N  N  N  137.755   7.930   9.583   6.142  -13.018  -3.682  C39   RGC   15  
RGC  C40   C40   C  0  1  N  N  N  139.149   8.423   9.445   5.287  -14.079  -3.115  C40   RGC   16  
RGC  O40   O40   O  0  1  N  N  N  139.952   7.923   8.698   5.345  -15.227  -3.541  O40   RGC   17  
RGC  C10   C10   C  0  1  N  N  N  137.239   9.744  11.153   5.573  -11.588  -1.759  C10   RGC   18  
RGC  C11   C11   C  0  1  N  N  R  138.741   9.935  11.343   4.234  -12.319  -1.811  C11   RGC   19  
RGC  O11   O11   O  0  1  N  N  N  139.536   9.528  10.178   4.454  -13.719  -2.102  O11   RGC   20  
RGC  C12   C12   C  0  1  N  N  R  139.175  11.359  11.612   3.414  -12.184  -0.501  C12   RGC   21  
RGC  C41   C41   C  0  1  N  N  N  140.647  11.436  12.018   4.042  -12.998   0.645  C41   RGC   22  
RGC  C13   C13   C  0  1  N  N  S  138.431  12.111  12.697   1.928  -12.601  -0.711  C13   RGC   23  
RGC  O13   O13   O  0  1  N  N  N  138.197  11.381  13.870   1.263  -12.682   0.553  O13   RGC   24  
RGC  C49   C49   C  0  1  N  N  N  137.254  11.375  14.936   1.235  -11.420   1.200  C49   RGC   25  
RGC  C14   C14   C  0  1  N  N  N  138.699  13.564  13.045   1.155  -11.591  -1.587  C14   RGC   26  
RGC  C15   C15   C  0  1  N  N  S  138.353  14.556  11.882  -0.312  -11.988  -1.835  C15   RGC   27  
RGC  O15   O15   O  0  1  N  N  N  139.032  15.781  12.300  -0.319  -13.265  -2.479  O15   RGC   28  
RGC  C50   C50   C  0  1  N  N  N  139.107  16.820  11.285  -1.640  -13.761  -2.620  C50   RGC   29  
RGC  C16   C16   C  0  1  N  N  N  136.798  14.721  12.036  -1.117  -11.034  -2.683  C16   RGC   30  
RGC  C17   C17   C  0  1  N  N  N  136.142  14.424  10.920  -0.742   -9.825  -3.130  C17   RGC   31  
RGC  C18   C18   C  0  1  N  N  S  134.623  14.562  10.911  -1.617   -8.948  -3.999  C18   RGC   32  
RGC  C42   C42   C  0  1  N  N  N  133.995  13.214  10.707  -0.847   -8.534  -5.256  C42   RGC   33  
RGC  C19   C19   C  0  1  N  N  S  134.147  15.581   9.856  -2.191   -7.727  -3.240  C19   RGC   34  
RGC  O19   O19   O  0  1  N  N  N  132.719  15.711   9.911  -3.096   -8.228  -2.252  O19   RGC   35  
RGC  C51   C51   C  0  1  N  N  N  131.968  15.260   8.781  -4.066   -9.084  -2.833  C51   RGC   36  
RGC  C20   C20   C  0  1  N  N  N  134.742  16.934  10.181  -1.146   -6.800  -2.586  C20   RGC   37  
RGC  C21   C21   C  0  1  N  N  R  134.545  18.012   9.141  -1.775   -5.495  -2.060  C21   RGC   38  
RGC  O21   O21   O  0  1  N  N  N  134.809  19.267   9.717  -2.658   -5.794  -0.980  O21   RGC   39  
RGC  C52   C52   C  0  1  N  N  N  134.219  20.509   9.357  -3.300   -4.623  -0.498  C52   RGC   40  
RGC  C22   C22   C  0  1  N  N  N  135.347  17.911   7.882  -0.737   -4.530  -1.556  C22   RGC   41  
RGC  C23   C23   C  0  1  N  N  N  134.977  18.004   6.607  -0.498   -3.340  -2.129  C23   RGC   42  
RGC  C24   C24   C  0  1  N  N  S  135.926  17.947   5.402   0.486   -2.319  -1.599  C24   RGC   43  
RGC  C43   C43   C  0  1  N  N  N  135.591  19.254   4.693  -0.281   -1.031  -1.290  C43   RGC   44  
RGC  C25   C25   C  0  1  N  N  S  135.485  16.745   4.539   1.634   -2.115  -2.616  C25   RGC   45  
RGC  C26   C26   C  0  1  N  N  S  136.343  16.678   3.210   2.557   -0.951  -2.259  C26   RGC   46  
RGC  C44   C44   C  0  1  N  N  N  137.859  16.457   3.445   3.136   -1.167  -0.858  C44   RGC   47  
RGC  C27   C27   C  0  1  N  N  S  135.812  15.495   2.352   3.661   -0.775  -3.335  C27   RGC   48  
RGC  O27   O27   O  0  1  N  N  N  134.424  15.817   2.033   3.043   -0.635  -4.617  O27   RGC   49  
RGC  C53   C53   C  0  1  N  N  N  133.517  14.726   2.168   2.259    0.545  -4.683  C53   RGC   50  
RGC  C28   C28   C  0  1  N  N  S  136.554  15.367   0.988   4.659    0.395  -3.111  C28   RGC   51  
RGC  C45   C45   C  0  1  N  N  N  135.997  14.142   0.198   5.457    0.251  -1.809  C45   RGC   52  
RGC  C29   C29   C  0  1  N  N  N  136.575  16.615   0.096   5.608    0.506  -4.329  C29   RGC   53  
RGC  C30   C30   C  0  1  N  N  N  137.425  16.370  -1.180   6.536   -0.699  -4.494  C30   RGC   54  
RGC  C31   C31   C  0  1  N  N  N  137.691  17.730  -1.883   7.475   -0.551  -5.683  C31   RGC   55  
RGC  O31   O31   O  0  1  N  N  N  137.382  18.801  -1.451   7.476    0.452  -6.397  O31   RGC   56  
RGC  C32   C32   C  0  1  N  N  R  138.441  17.399  -3.159   8.415   -1.729  -5.951  C32   RGC   57  
RGC  C46   C46   C  0  1  N  N  N  139.632  18.457  -3.240   9.685   -1.583  -5.110  C46   RGC   58  
RGC  C33   C33   C  0  1  N  N  R  137.521  17.648  -4.421   8.673   -1.842  -7.468  C33   RGC   59  
RGC  O33   O33   O  0  1  N  N  N  136.413  16.788  -4.179   9.336   -0.660  -7.911  O33   RGC   60  
RGC  C54   C54   C  0  1  N  N  N  135.241  17.285  -4.823   9.639   -0.726  -9.297  C54   RGC   61  
RGC  C34   C34   C  0  1  N  N  N  138.258  17.146  -5.727   7.368   -2.043  -8.258  C34   RGC   62  
RGC  C35   C35   C  0  1  N  N  N  138.917  15.739  -5.663   6.617   -3.322  -7.883  C35   RGC   63  
RGC  O2    O2    O  0  1  N  N  N        ?       ?       ?   4.449   -4.260  -7.961  O2    RGC   64  
RGC  C36   C36   C  0  1  N  N  N        ?       ?       ?   5.337   -3.507  -8.655  C36   RGC   65  
RGC  O3    O3    O  0  1  N  N  N        ?       ?       ?   5.119   -3.039  -9.763  O3    RGC   66  
RGC  H2    H2    H  0  1  N  N  N  136.299  13.242   6.521   3.897   -5.242  -2.401  H2    RGC   67  
RGC  H3    H3    H  0  1  N  N  N  133.294  13.047   6.679   4.752   -4.953  -5.345  H3    RGC   68  
RGC  H4    H4    H  0  1  N  N  N  135.838  11.070   7.549   5.568   -6.865  -3.043  H4    RGC   69  
RGC  H381  1H38  H  0  0  N  N  N  132.083  10.786   6.802   6.698   -7.793  -6.957  H381  RGC   70  
RGC  H382  2H38  H  0  0  N  N  N  131.684   9.765   8.222   7.378   -6.205  -6.536  H382  RGC   71  
RGC  H383  3H38  H  0  0  N  N  N  132.126  11.495   8.390   5.630   -6.385  -6.771  H383  RGC   72  
RGC  H61   1H6   H  0  1  N  N  N  135.727   9.157   8.102   8.029   -8.540  -5.136  H61   RGC   73  
RGC  H62   2H6   H  0  1  N  N  N  134.314   8.253   7.863   7.649   -8.085  -3.482  H62   RGC   74  
RGC  H7    H7    H  0  1  N  N  N  134.662   9.981  10.480   5.450   -9.432  -3.711  H7    RGC   75  
RGC  H481  1H48  H  0  0  N  N  N  132.687   9.661  11.916   7.156  -11.538  -6.505  H481  RGC   76  
RGC  H482  2H48  H  0  0  N  N  N  131.542   8.244  11.650   8.019  -10.113  -5.848  H482  RGC   77  
RGC  H483  3H48  H  0  0  N  N  N  133.284   8.102  12.225   7.024   -9.958  -7.320  H483  RGC   78  
RGC  H81   1H8   H  0  1  N  N  N  135.380   7.019   9.929   7.754  -10.333  -2.744  H81   RGC   79  
RGC  H82   2H8   H  0  1  N  N  N  135.229   7.668  11.485   7.913  -11.163  -4.288  H82   RGC   80  
RGC  H39   H39   H  0  1  N  N  N  137.338   7.057   9.053   6.668  -13.243  -4.604  H39   RGC   81  
RGC  H101  1H10  H  0  0  N  N  N  136.715   9.754  12.137   6.209  -11.940  -0.940  H101  RGC   82  
RGC  H102  2H10  H  0  0  N  N  N  136.785  10.650  10.689   5.396  -10.517  -1.610  H102  RGC   83  
RGC  H11   H11   H  0  1  N  N  N  138.928   9.288  12.232   3.657  -11.910  -2.647  H11   RGC   84  
RGC  H12   H12   H  0  1  N  N  N  138.950  11.840  10.632   3.424  -11.131  -0.188  H12   RGC   85  
RGC  H411  1H41  H  0  0  N  N  N  141.303  10.948  11.260   4.483  -13.923   0.262  H411  RGC   86  
RGC  H412  2H41  H  0  0  N  N  N  140.967  12.486  12.216   4.828  -12.420   1.141  H412  RGC   87  
RGC  H413  3H41  H  0  0  N  N  N  140.863  10.774  12.889   3.284  -13.260   1.390  H413  RGC   88  
RGC  H13   H13   H  0  1  N  N  N  137.522  12.220  12.061   1.888  -13.600  -1.157  H13   RGC   89  
RGC  H491  1H49  H  0  0  N  N  N  136.281  11.290  14.399   1.895  -10.726   0.675  H491  RGC   90  
RGC  H492  2H49  H  0  0  N  N  N  137.068  10.794  15.869   1.558  -11.534   2.237  H492  RGC   91  
RGC  H493  3H49  H  0  0  N  N  N  137.302  12.425  15.309   0.213  -11.033   1.179  H493  RGC   92  
RGC  H141  1H14  H  0  0  N  N  N  139.753  13.702  13.382   1.651  -11.492  -2.557  H141  RGC   93  
RGC  H142  2H14  H  0  0  N  N  N  138.166  13.851  13.982   1.178  -10.611  -1.094  H142  RGC   94  
RGC  H15   H15   H  0  1  N  N  N  138.634  14.270  10.842  -0.827  -12.104  -0.874  H15   RGC   95  
RGC  H501  1H50  H  0  0  N  N  N  138.087  17.057  10.901  -2.150  -13.219  -3.420  H501  RGC   96  
RGC  H502  2H50  H  0  0  N  N  N  139.625  17.755  11.604  -2.180  -13.633  -1.678  H502  RGC   97  
RGC  H503  3H50  H  0  0  N  N  N  139.576  16.418  10.357  -1.596  -14.823  -2.872  H503  RGC   98  
RGC  H16   H16   H  0  1  N  N  N  136.187  15.035  12.899  -2.115  -11.385  -2.943  H16   RGC   99  
RGC  H17   H17   H  0  1  N  N  N  136.790  14.098  10.089   0.239   -9.432  -2.880  H17   RGC  100  
RGC  H18   H18   H  0  1  N  N  N  134.296  14.960  11.900  -2.476   -9.547  -4.335  H18   RGC  101  
RGC  H421  1H42  H  0  0  N  N  N  134.345  12.469  11.459  -1.525   -8.442  -6.109  H421  RGC  102  
RGC  H422  2H42  H  0  0  N  N  N  132.885  13.315  10.700  -0.352   -7.571  -5.103  H422  RGC  103  
RGC  H423  3H42  H  0  0  N  N  N  134.376  12.707   9.790  -0.084   -9.279  -5.501  H423  RGC  104  
RGC  H19   H19   H  0  1  N  N  N  134.463  15.232   8.845  -2.793   -7.144  -3.950  H19   RGC  105  
RGC  H511  1H51  H  0  0  N  N  N  132.233  14.199   8.563  -3.777   -9.319  -3.860  H511  RGC  106  
RGC  H512  2H51  H  0  0  N  N  N  130.858  15.361   8.824  -5.041   -8.591  -2.821  H512  RGC  107  
RGC  H513  3H51  H  0  0  N  N  N  132.348  15.764   7.862  -4.119  -10.007  -2.251  H513  RGC  108  
RGC  H201  1H20  H  0  0  N  N  N  135.828  16.824  10.411  -0.364   -6.548  -3.311  H201  RGC  109  
RGC  H202  2H20  H  0  0  N  N  N  134.362  17.287  11.168  -0.679   -7.326  -1.744  H202  RGC  110  
RGC  H21   H21   H  0  1  N  N  N  133.485  17.874   8.823  -2.374   -5.037  -2.856  H21   RGC  111  
RGC  H521  1H52  H  0  0  N  N  N  133.116  20.361   9.429  -3.031   -3.773  -1.130  H521  RGC  112  
RGC  H522  2H52  H  0  0  N  N  N  134.428  21.504   9.814  -2.992   -4.436   0.533  H522  RGC  113  
RGC  H523  3H52  H  0  0  N  N  N  134.391  20.628   8.262  -4.382   -4.771  -0.532  H523  RGC  114  
RGC  H22   H22   H  0  1  N  N  N  136.435  17.731   7.897  -0.182   -4.816  -0.666  H22   RGC  115  
RGC  H23   H23   H  0  1  N  N  N  133.883  18.129   6.549  -1.058   -3.062  -3.020  H23   RGC  116  
RGC  H24   H24   H  0  1  N  N  N  137.011  17.835   5.633   0.913   -2.694  -0.659  H24   RGC  117  
RGC  H431  1H43  H  0  0  N  N  N  135.673  20.172   5.321  -0.753   -1.092  -0.304  H431  RGC  118  
RGC  H432  2H43  H  0  0  N  N  N  136.280  19.213   3.818   0.395   -0.170  -1.295  H432  RGC  119  
RGC  H433  3H43  H  0  0  N  N  N  134.514  19.399   4.445  -1.063   -0.860  -2.036  H433  RGC  120  
RGC  H25   H25   H  0  1  N  N  N  134.404  16.818   4.275   1.220   -1.958  -3.621  H25   RGC  121  
RGC  H26   H26   H  0  1  N  N  N  136.234  17.667   2.706   1.930   -0.048  -2.238  H26   RGC  122  
RGC  H441  1H44  H  0  0  N  N  N  138.029  15.547   4.066   2.337   -1.368  -0.135  H441  RGC  123  
RGC  H442  2H44  H  0  0  N  N  N  138.463  16.410   2.509   3.825   -2.018  -0.843  H442  RGC  124  
RGC  H443  3H44  H  0  0  N  N  N  138.265  17.235   4.133   3.674   -0.283  -0.502  H443  RGC  125  
RGC  H27   H27   H  0  1  N  N  N  135.952  14.548   2.923   4.241   -1.706  -3.377  H27   RGC  126  
RGC  H531  1H53  H  0  0  N  N  N  133.588  14.287   3.190   2.429    1.146  -3.786  H531  RGC  127  
RGC  H532  2H53  H  0  0  N  N  N  132.457  14.972   1.924   1.202    0.278  -4.761  H532  RGC  128  
RGC  H533  3H53  H  0  0  N  N  N  133.863  13.857   1.561   2.554    1.119  -5.564  H533  RGC  129  
RGC  H28   H28   H  0  1  N  N  N  137.624  15.223   1.265   4.086    1.328  -3.054  H28   RGC  130  
RGC  H451  1H45  H  0  0  N  N  N  134.891  14.193   0.071   6.196    1.050  -1.700  H451  RGC  131  
RGC  H452  2H45  H  0  0  N  N  N  136.528  14.050  -0.778   5.982   -0.708  -1.761  H452  RGC  132  
RGC  H453  3H45  H  0  0  N  N  N  136.048  13.201   0.793   4.801    0.316  -0.935  H453  RGC  133  
RGC  H291  1H29  H  0  0  N  N  N  136.922  17.515   0.655   5.003    0.607  -5.240  H291  RGC  134  
RGC  H292  2H29  H  0  0  N  N  N  135.545  16.959  -0.155   6.211    1.420  -4.257  H292  RGC  135  
RGC  H301  1H30  H  0  0  N  N  N  136.958  15.624  -1.864   7.160   -0.828  -3.604  H301  RGC  136  
RGC  H302  2H30  H  0  0  N  N  N  138.367  15.814  -0.962   5.939   -1.606  -4.641  H302  RGC  137  
RGC  H32   H32   H  0  1  N  N  N  138.778  16.336  -3.151   7.894   -2.631  -5.604  H32   RGC  138  
RGC  H461  1H46  H  0  0  N  N  N  140.279  18.475  -2.332  10.274   -0.708  -5.406  H461  RGC  139  
RGC  H462  2H46  H  0  0  N  N  N  140.183  18.214  -4.178   9.431   -1.459  -4.051  H462  RGC  140  
RGC  H463  3H46  H  0  0  N  N  N  139.294  19.518  -3.181  10.321   -2.468  -5.197  H463  RGC  141  
RGC  H33   H33   H  0  1  N  N  N  137.253  18.721  -4.562   9.347   -2.686  -7.657  H33   RGC  142  
RGC  H541  1H54  H  0  0  N  N  N  135.406  17.450  -5.913   9.077    0.045  -9.830  H541  RGC  143  
RGC  H542  2H54  H  0  0  N  N  N  134.373  16.611  -4.633   9.378   -1.715  -9.681  H542  RGC  144  
RGC  H543  3H54  H  0  0  N  N  N  135.021  18.337  -4.527  10.709   -0.554  -9.435  H543  RGC  145  
RGC  H341  1H34  H  0  0  N  N  N  139.017  17.900  -6.040   7.611   -2.100  -9.326  H341  RGC  146  
RGC  H342  2H34  H  0  0  N  N  N  137.556  17.190  -6.592   6.707   -1.181  -8.115  H342  RGC  147  
RGC  H351  1H35  H  0  0  N  N  N  139.691  15.363  -4.954   6.388   -3.346  -6.811  H351  RGC  148  
RGC  H352  2H35  H  0  0  N  N  N  139.643  15.276  -6.371   7.246   -4.198  -8.081  H352  RGC  149  
RGC  HO2   HO2   H  0  1  N  N  N   -0.943  -0.107   0.038   3.610   -4.385  -8.454  HO2   RGC  150  
#   #
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
_chem_comp_bond.pdbx_aromatic_flag
_chem_comp_bond.pdbx_stereo_config
_chem_comp_bond.pdbx_ordinal
RGC  O1   C1    DOUB  N  N    1  
RGC  C1   O25   SING  N  N    2  
RGC  C1   C2    SING  N  N    3  
RGC  O25  C25   SING  N  N    4  
RGC  C2   C3    DOUB  N  E    5  
RGC  C2   H2    SING  N  N    6  
RGC  C3   C4    SING  N  N    7  
RGC  C3   H3    SING  N  N    8  
RGC  C4   C5    DOUB  N  E    9  
RGC  C4   H4    SING  N  N   10  
RGC  C5   C38   SING  N  N   11  
RGC  C5   C6    SING  N  N   12  
RGC  C38  H381  SING  N  N   13  
RGC  C38  H382  SING  N  N   14  
RGC  C38  H383  SING  N  N   15  
RGC  C6   C7    SING  N  N   16  
RGC  C6   H61   SING  N  N   17  
RGC  C6   H62   SING  N  N   18  
RGC  C7   O7    SING  N  N   19  
RGC  C7   C8    SING  N  N   20  
RGC  C7   H7    SING  N  N   21  
RGC  O7   C48   SING  N  N   22  
RGC  C48  H481  SING  N  N   23  
RGC  C48  H482  SING  N  N   24  
RGC  C48  H483  SING  N  N   25  
RGC  C8   C9    SING  N  N   26  
RGC  C8   H81   SING  N  N   27  
RGC  C8   H82   SING  N  N   28  
RGC  C9   C39   DOUB  N  N   29  
RGC  C9   C10   SING  N  N   30  
RGC  C39  C40   SING  N  N   31  
RGC  C39  H39   SING  N  N   32  
RGC  C40  O40   DOUB  N  N   33  
RGC  C40  O11   SING  N  N   34  
RGC  C10  C11   SING  N  N   35  
RGC  C10  H101  SING  N  N   36  
RGC  C10  H102  SING  N  N   37  
RGC  C11  O11   SING  N  N   38  
RGC  C11  C12   SING  N  N   39  
RGC  C11  H11   SING  N  N   40  
RGC  C12  C41   SING  N  N   41  
RGC  C12  C13   SING  N  N   42  
RGC  C12  H12   SING  N  N   43  
RGC  C41  H411  SING  N  N   44  
RGC  C41  H412  SING  N  N   45  
RGC  C41  H413  SING  N  N   46  
RGC  C13  O13   SING  N  N   47  
RGC  C13  C14   SING  N  N   48  
RGC  C13  H13   SING  N  N   49  
RGC  O13  C49   SING  N  N   50  
RGC  C49  H491  SING  N  N   51  
RGC  C49  H492  SING  N  N   52  
RGC  C49  H493  SING  N  N   53  
RGC  C14  C15   SING  N  N   54  
RGC  C14  H141  SING  N  N   55  
RGC  C14  H142  SING  N  N   56  
RGC  C15  O15   SING  N  N   57  
RGC  C15  C16   SING  N  N   58  
RGC  C15  H15   SING  N  N   59  
RGC  O15  C50   SING  N  N   60  
RGC  C50  H501  SING  N  N   61  
RGC  C50  H502  SING  N  N   62  
RGC  C50  H503  SING  N  N   63  
RGC  C16  C17   DOUB  N  E   64  
RGC  C16  H16   SING  N  N   65  
RGC  C17  C18   SING  N  N   66  
RGC  C17  H17   SING  N  N   67  
RGC  C18  C42   SING  N  N   68  
RGC  C18  C19   SING  N  N   69  
RGC  C18  H18   SING  N  N   70  
RGC  C42  H421  SING  N  N   71  
RGC  C42  H422  SING  N  N   72  
RGC  C42  H423  SING  N  N   73  
RGC  C19  O19   SING  N  N   74  
RGC  C19  C20   SING  N  N   75  
RGC  C19  H19   SING  N  N   76  
RGC  O19  C51   SING  N  N   77  
RGC  C51  H511  SING  N  N   78  
RGC  C51  H512  SING  N  N   79  
RGC  C51  H513  SING  N  N   80  
RGC  C20  C21   SING  N  N   81  
RGC  C20  H201  SING  N  N   82  
RGC  C20  H202  SING  N  N   83  
RGC  C21  O21   SING  N  N   84  
RGC  C21  C22   SING  N  N   85  
RGC  C21  H21   SING  N  N   86  
RGC  O21  C52   SING  N  N   87  
RGC  C52  H521  SING  N  N   88  
RGC  C52  H522  SING  N  N   89  
RGC  C52  H523  SING  N  N   90  
RGC  C22  C23   DOUB  N  E   91  
RGC  C22  H22   SING  N  N   92  
RGC  C23  C24   SING  N  N   93  
RGC  C23  H23   SING  N  N   94  
RGC  C24  C43   SING  N  N   95  
RGC  C24  C25   SING  N  N   96  
RGC  C24  H24   SING  N  N   97  
RGC  C43  H431  SING  N  N   98  
RGC  C43  H432  SING  N  N   99  
RGC  C43  H433  SING  N  N  100  
RGC  C25  C26   SING  N  N  101  
RGC  C25  H25   SING  N  N  102  
RGC  C26  C44   SING  N  N  103  
RGC  C26  C27   SING  N  N  104  
RGC  C26  H26   SING  N  N  105  
RGC  C44  H441  SING  N  N  106  
RGC  C44  H442  SING  N  N  107  
RGC  C44  H443  SING  N  N  108  
RGC  C27  O27   SING  N  N  109  
RGC  C27  C28   SING  N  N  110  
RGC  C27  H27   SING  N  N  111  
RGC  O27  C53   SING  N  N  112  
RGC  C53  H531  SING  N  N  113  
RGC  C53  H532  SING  N  N  114  
RGC  C53  H533  SING  N  N  115  
RGC  C28  C45   SING  N  N  116  
RGC  C28  C29   SING  N  N  117  
RGC  C28  H28   SING  N  N  118  
RGC  C45  H451  SING  N  N  119  
RGC  C45  H452  SING  N  N  120  
RGC  C45  H453  SING  N  N  121  
RGC  C29  C30   SING  N  N  122  
RGC  C29  H291  SING  N  N  123  
RGC  C29  H292  SING  N  N  124  
RGC  C30  C31   SING  N  N  125  
RGC  C30  H301  SING  N  N  126  
RGC  C30  H302  SING  N  N  127  
RGC  C31  O31   DOUB  N  N  128  
RGC  C31  C32   SING  N  N  129  
RGC  C32  C46   SING  N  N  130  
RGC  C32  C33   SING  N  N  131  
RGC  C32  H32   SING  N  N  132  
RGC  C46  H461  SING  N  N  133  
RGC  C46  H462  SING  N  N  134  
RGC  C46  H463  SING  N  N  135  
RGC  C33  O33   SING  N  N  136  
RGC  C33  C34   SING  N  N  137  
RGC  C33  H33   SING  N  N  138  
RGC  O33  C54   SING  N  N  139  
RGC  C54  H541  SING  N  N  140  
RGC  C54  H542  SING  N  N  141  
RGC  C54  H543  SING  N  N  142  
RGC  C34  C35   SING  N  N  143  
RGC  C34  H341  SING  N  N  144  
RGC  C34  H342  SING  N  N  145  
RGC  C35  C36   SING  N  N  146  
RGC  C35  H351  SING  N  N  147  
RGC  C35  H352  SING  N  N  148  
RGC  O2   C36   SING  N  N  149  
RGC  O2   HO2   SING  N  N  150  
RGC  C36  O3    DOUB  N  N  151  
#   #
loop_
_pdbx_chem_comp_descriptor.comp_id
_pdbx_chem_comp_descriptor.type
_pdbx_chem_comp_descriptor.program
_pdbx_chem_comp_descriptor.program_version
_pdbx_chem_comp_descriptor.descriptor
RGC  SMILES            ACDLabs               10.04  "O=C(O)CCC(OC)C(C(=O)CCC(C)C(OC)C(C)C1OC(=O)C=CC=C(C)CC(OC)CC2=CC(=O)OC(C(C(OC)CC(OC)C=CC(C)C(OC)CC(OC)C=CC1C)C)C2)C"  
RGC  SMILES_CANONICAL  CACTVS                3.341  "CO[C@@H]1CC(=C/C=C/C(=O)O[C@@H]([C@@H](C)/C=C/[C@@H](C[C@H](OC)[C@@H](C)/C=C/[C@H](C[C@H](OC)[C@@H](C)[C@H]2CC(=CC(=O)O2)C1)OC)OC)[C@@H](C)[C@@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@@H](CCC(O)=O)OC)/C"  
RGC  SMILES            CACTVS                3.341  "CO[CH]1CC(=CC=CC(=O)O[CH]([CH](C)C=C[CH](C[CH](OC)[CH](C)C=C[CH](C[CH](OC)[CH](C)[CH]2CC(=CC(=O)O2)C1)OC)OC)[CH](C)[CH](OC)[CH](C)CCC(=O)[CH](C)[CH](CCC(O)=O)OC)C"  
RGC  SMILES_CANONICAL  "OpenEye OEToolkits"  1.5.0  "C[C@H]1\C=C\[C@H](C[C@@H]([C@H]([C@H]2CC(=CC(=O)O2)C[C@@H](C/C(=C/C=C/C(=O)O[C@@H]([C@H](\C=C\[C@@H](C[C@@H]1OC)OC)C)[C@@H](C)[C@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](CCC(=O)O)OC)OC)/C)OC)C)OC)OC"  
RGC  SMILES            "OpenEye OEToolkits"  1.5.0  "CC1C=CC(CC(C(C2CC(=CC(=O)O2)CC(CC(=CC=CC(=O)OC(C(C=CC(CC1OC)OC)C)C(C)C(C(C)CCC(=O)C(C)C(CCC(=O)O)OC)OC)C)OC)C)OC)OC"  
RGC  InChI             InChI                 1.03   "InChI=1S/C52H84O14/c1-32-16-15-17-49(56)66-52(38(7)51(64-14)34(3)20-23-43(53)36(5)44(61-11)24-25-48(54)55)35(4)19-22-40(58-8)30-45(62-12)33(2)18-21-41(59-9)31-46(63-13)37(6)47-28-39(29-50(57)65-47)27-42(26-32)60-10/h15-19,21-22,29,33-38,40-42,44-47,51-52H,20,23-28,30-31H2,1-14H3,(H,54,55)/b17-15+,21-18+,22-19+,32-16+/t33-,34-,35-,36-,37+,38-,40-,41+,42+,44+,45-,46-,47+,51-,52-/m0/s1"  
RGC  InChIKey          InChI                 1.03   QTLSHCJDXCYLJK-VRWAWWQJSA-N  
#   #
loop_
_pdbx_chem_comp_identifier.comp_id
_pdbx_chem_comp_identifier.type
_pdbx_chem_comp_identifier.program
_pdbx_chem_comp_identifier.program_version
_pdbx_chem_comp_identifier.identifier
RGC  "SYSTEMATIC NAME"  ACDLabs               10.04  "(4R,5R,9S,10S,11S)-4,10-dimethoxy-5,9-dimethyl-6-oxo-11-[(3R,5E,7E,11S,12S,13E,15R,17S,18S,19E,21S,23S,24R,25R)-3,15,17,21,23-pentamethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl]dodecanoic acid"  
RGC  "SYSTEMATIC NAME"  "OpenEye OEToolkits"  1.5.0  "(4R,5R,9S,10S,11S)-4,10-dimethoxy-5,9-dimethyl-6-oxo-11-[(3R,5E,7E,11S,12S,13E,15R,17S,18S,19E,21S,23S,24R,25R)-3,15,17,21,23-pentamethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl]dodecanoic acid"  
#   #
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
RGC  "Create component"   2005-08-30  RCSB  
RGC  "Modify descriptor"  2011-06-04  RCSB  
RGC  "Modify synonyms"    2020-06-05  PDBE  
#
_pdbx_chem_comp_synonyms.ordinal     1
_pdbx_chem_comp_synonyms.comp_id     RGC
_pdbx_chem_comp_synonyms.name        "(4R,5R,9S,10S,11S)-4,10-DIMETHOXY-5,9-DIMETHYL-6-OXO-11-((3R,5Z,7Z,11S,12S,13Z,15R,17S,18S,19Z,21S,23S,24R,25R)-3,15,17,21,23-PENTAMETHOXY-5,12,18,24-TETRAMETHYL-9,27-DIOXO-10,26-DIOXABICYCLO[23.3.1]NONACOSA-1(28),5,7,13,19-PENTAEN-11-YL)DODECANOIC ACID"
_pdbx_chem_comp_synonyms.provenance  ?
_pdbx_chem_comp_synonyms.type        ?
##
