data_NGU
# 
_chem_comp.id                                    NGU 
_chem_comp.name                                  "U-58872, HYDROXY DERIVATIVE OF NOGALAMYCIN" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAD 
_chem_comp.formula                               "C39 H49 N O17" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     1999-07-08 
_chem_comp.pdbx_modified_date                    2008-10-14 
_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                        803.803 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     NGU 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        1D22 
_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 
NGU C1    C1   C 0 1 Y N N 8.069  3.852  23.825 -0.082 -1.054 -4.539 C1    NGU 1   
NGU C2    C2   C 0 1 Y N N 7.951  3.993  22.472 1.111  -1.233 -5.229 C2    NGU 2   
NGU C3    C3   C 0 1 Y N N 7.970  5.287  21.860 2.289  -1.456 -4.548 C3    NGU 3   
NGU C4    C4   C 0 1 Y N N 8.064  6.418  22.672 2.304  -1.520 -3.156 C4    NGU 4   
NGU C5    C5   C 0 1 N N N 8.237  7.533  24.867 1.121  -1.373 -0.970 C5    NGU 5   
NGU C6    C6   C 0 1 Y N N 8.342  8.506  27.102 -0.002 -0.617 1.130  C6    NGU 6   
NGU C7    C7   C 0 1 N N S 8.464  9.778  29.297 -0.994 0.121  3.286  C7    NGU 7   
NGU C8    C8   C 0 1 N N N 8.789  9.530  30.801 -2.128 1.013  3.784  C8    NGU 8   
NGU C9    C9   C 0 1 N N S 8.096  8.245  31.422 -3.458 0.413  3.311  C9    NGU 9   
NGU C10   C10  C 0 1 N N R 8.585  7.021  30.670 -3.552 0.590  1.797  C10   NGU 10  
NGU C11   C11  C 0 1 Y N N 8.345  6.004  28.335 -2.374 -0.175 -0.244 C11   NGU 11  
NGU C12   C12  C 0 1 N N N 8.247  4.903  26.170 -1.332 -0.909 -2.386 C12   NGU 12  
NGU C13   C13  C 0 1 N N N 6.677  8.352  31.462 -4.621 1.140  3.988  C13   NGU 13  
NGU C14   C14  C 0 1 N N N 10.036 6.805  31.011 -4.743 -0.176 1.281  C14   NGU 14  
NGU C15   C15  C 0 1 N N N 11.282 4.880  31.492 -7.094 -0.325 0.725  C15   NGU 15  
NGU C16   C16  C 0 1 Y N N 8.159  6.302  24.045 1.126  -1.322 -2.444 C16   NGU 16  
NGU C17   C17  C 0 1 Y N N 8.291  7.430  26.280 -0.058 -0.859 -0.240 C17   NGU 17  
NGU C18   C18  C 0 1 Y N N 8.438  8.445  28.556 -1.129 -0.130 1.806  C18   NGU 18  
NGU C19   C19  C 0 1 Y N N 8.431  7.155  29.117 -2.304 0.079  1.123  C19   NGU 19  
NGU C20   C20  C 0 1 Y N N 8.316  6.131  26.922 -1.265 -0.641 -0.933 C20   NGU 20  
NGU C21   C21  C 0 1 Y N N 8.146  5.001  24.667 -0.078 -1.097 -3.139 C21   NGU 21  
NGU O1    O1   O 0 1 N N N 8.068  2.653  24.476 -1.255 -0.850 -5.177 O1    NGU 22  
NGU O4    O4   O 0 1 N N N 8.091  7.603  22.041 3.468  -1.740 -2.495 O4    NGU 23  
NGU O5    O5   O 0 1 N N N 8.186  8.654  24.266 2.074  -1.826 -0.366 O5    NGU 24  
NGU O6    O6   O 0 1 N N N 8.318  9.753  26.521 1.146  -0.854 1.811  O6    NGU 25  
NGU O7    O7   O 0 1 N N N 7.077  10.247 29.217 0.256  0.761  3.542  O7    NGU 26  
NGU O9    O9   O 0 1 N N N 8.649  8.138  32.765 -3.502 -0.976 3.638  O9    NGU 27  
NGU O10   O10  O 0 1 N N N 10.278 5.831  31.873 -5.947 0.413  1.222  O10   NGU 28  
NGU O14   O14  O 0 1 N N N 11.026 7.203  30.560 -4.613 -1.322 0.921  O14   NGU 29  
NGU O12   O12  O 0 1 N N N 8.278  3.804  26.802 -2.406 -0.973 -2.952 O12   NGU 30  
NGU "C1'" C1*  C 0 1 N N R 6.905  11.573 28.836 0.769  0.198  4.751  "C1'" NGU 31  
NGU "C2'" C2*  C 0 1 N N R 5.484  11.805 28.185 2.153  0.785  5.038  "C2'" NGU 32  
NGU "C3'" C3*  C 0 1 N N R 4.381  11.837 29.267 2.710  0.151  6.320  "C3'" NGU 33  
NGU "C4'" C4*  C 0 1 N N S 4.754  12.915 30.300 1.679  0.328  7.440  "C4'" NGU 34  
NGU "C5'" C5*  C 0 1 N N S 6.064  12.629 30.891 0.331  -0.224 6.972  "C5'" NGU 35  
NGU C25   C25  C 0 1 N N N 6.577  13.757 31.853 0.486  -1.702 6.607  C25   NGU 36  
NGU C26   C26  C 0 1 N N N 3.444  13.004 32.354 1.192  1.797  9.134  C26   NGU 37  
NGU C27   C27  C 0 1 N N N 2.194  11.480 28.054 3.441  -1.773 7.333  C27   NGU 38  
NGU C28   C28  C 0 1 N N N 4.281  10.267 29.768 4.018  0.844  6.708  C28   NGU 39  
NGU C29   C29  C 0 1 N N N 5.184  13.270 26.220 2.907  1.594  3.028  C29   NGU 40  
NGU "O1'" O1*  O 0 1 N N N 7.128  12.561 29.879 -0.116 0.500  5.828  "O1'" NGU 41  
NGU "O2'" O2*  O 0 1 N N N 5.469  13.109 27.633 3.028  0.504  3.944  "O2'" NGU 42  
NGU "O3'" O3*  O 0 1 N N N 3.215  12.317 28.676 2.948  -1.240 6.102  "O3'" NGU 43  
NGU "O4'" O4*  O 0 1 N N N 3.809  13.532 31.101 1.545  1.716  7.751  "O4'" NGU 44  
NGU C30   C30  C 0 1 N N S 7.832  1.417  23.785 -1.053 -0.490 -6.520 C30   NGU 45  
NGU C31   C31  C 0 1 N N S 6.380  1.067  23.664 -0.722 0.974  -6.724 C31   NGU 46  
NGU C32   C32  C 0 1 N N R 5.636  1.886  22.612 0.732  1.265  -6.391 C32   NGU 47  
NGU C33   C33  C 0 1 N N R 6.407  2.193  21.339 1.608  0.250  -7.140 C33   NGU 48  
NGU C34   C34  C 0 1 N N R 7.834  2.644  21.630 1.139  -1.155 -6.733 C34   NGU 49  
NGU C22   C22  C 0 1 N N N 8.682  2.648  20.307 2.082  -2.214 -7.307 C22   NGU 50  
NGU C23   C23  C 0 1 N N N 3.166  2.321  22.542 2.162  3.082  -5.934 C23   NGU 51  
NGU C24   C24  C 0 1 N N N 3.927  -0.045 22.261 -0.087 3.471  -6.522 C24   NGU 52  
NGU N1    N1   N 0 1 N N N 4.264  1.442  22.231 1.079  2.627  -6.816 N1    NGU 53  
NGU O2    O2   O 0 1 N N N 8.463  1.595  22.421 -0.185 -1.356 -7.224 O2    NGU 54  
NGU O15   O15  O 0 1 N N N 5.761  1.133  24.957 -1.564 1.759  -5.877 O15   NGU 55  
NGU O16   O16  O 0 1 N N N 5.656  3.167  20.697 2.978  0.429  -6.777 O16   NGU 56  
NGU O23   O23  O 0 1 N N N 2.142  2.882  23.003 1.736  2.996  -4.573 O23   NGU 57  
NGU H3    H3   H 0 1 N N N 7.912  5.412  20.765 3.209  -1.583 -5.099 H3    NGU 58  
NGU H7    H7   H 0 1 N N N 9.213  10.487 28.874 -1.026 -0.830 3.816  H7    NGU 59  
NGU H81   1H8  H 0 1 N N N 9.892  9.489  30.957 -2.111 1.054  4.874  H81   NGU 60  
NGU H82   2H8  H 0 1 N N N 8.542  10.434 31.405 -2.012 2.017  3.376  H82   NGU 61  
NGU H10   H10  H 0 1 N N N 7.956  6.154  30.982 -3.678 1.647  1.566  H10   NGU 62  
NGU H11   H11  H 0 1 N N N 8.300  5.015  28.822 -3.301 -0.009 -0.772 H11   NGU 63  
NGU H131  1H13 H 0 0 N N N 6.190  7.448  31.898 -4.540 1.028  5.069  H131  NGU 64  
NGU H132  2H13 H 0 0 N N N 6.360  9.276  31.999 -4.590 2.198  3.728  H132  NGU 65  
NGU H133  3H13 H 0 0 N N N 6.264  8.580  30.451 -5.564 0.711  3.649  H133  NGU 66  
NGU H151  1H15 H 0 0 N N N 11.486 4.059  32.218 -7.977 0.313  0.751  H151  NGU 67  
NGU H152  2H15 H 0 0 N N N 11.031 4.447  30.495 -6.905 -0.641 -0.300 H152  NGU 68  
NGU H153  3H15 H 0 0 N N N 12.231 5.411  31.248 -7.261 -1.201 1.351  H153  NGU 69  
NGU HO4   HO4  H 0 1 N N N 8.155  8.373  22.593 3.857  -0.872 -2.319 HO4   NGU 70  
NGU HO6   HO6  H 0 1 N N N 8.353  10.507 27.097 1.640  -0.023 1.825  HO6   NGU 71  
NGU HO9   HO9  H 0 1 N N N 8.234  7.368  33.136 -3.422 -1.040 4.600  HO9   NGU 72  
NGU "H1'" H1*  H 0 1 N N N 7.712  11.738 28.084 0.850  -0.883 4.641  "H1'" NGU 73  
NGU "H2'" H2*  H 0 1 N N N 5.304  10.990 27.444 2.070  1.864  5.171  "H2'" NGU 74  
NGU "H4'" H4*  H 0 1 N N N 4.817  13.830 29.667 2.007  -0.214 8.327  "H4'" NGU 75  
NGU "H5'" H5*  H 0 1 N N N 5.889  11.664 31.422 -0.399 -0.124 7.774  "H5'" NGU 76  
NGU H251  1H25 H 0 0 N N N 7.573  13.539 32.302 0.819  -2.259 7.482  H251  NGU 77  
NGU H252  2H25 H 0 0 N N N 6.585  14.744 31.334 -0.471 -2.095 6.269  H252  NGU 78  
NGU H253  3H25 H 0 0 N N N 5.824  13.970 32.647 1.223  -1.804 5.810  H253  NGU 79  
NGU H261  1H26 H 0 0 N N N 2.682  13.501 32.999 1.078  2.843  9.419  H261  NGU 80  
NGU H262  2H26 H 0 0 N N N 3.124  11.947 32.199 0.253  1.270  9.301  H262  NGU 81  
NGU H263  3H26 H 0 0 N N N 4.373  12.879 32.956 1.977  1.340  9.736  H263  NGU 82  
NGU H271  1H27 H 0 0 N N N 1.260  11.864 27.580 3.715  -2.818 7.192  H271  NGU 83  
NGU H272  2H27 H 0 0 N N N 2.710  10.855 27.288 4.316  -1.206 7.649  H272  NGU 84  
NGU H273  3H27 H 0 0 N N N 1.883  10.728 28.817 2.666  -1.700 8.096  H273  NGU 85  
NGU H281  1H28 H 0 0 N N N 3.485  10.290 30.548 4.749  0.713  5.911  H281  NGU 86  
NGU H282  2H28 H 0 0 N N N 4.101  9.532  28.948 3.834  1.907  6.862  H282  NGU 87  
NGU H283  3H28 H 0 0 N N N 5.248  9.829  30.108 4.402  0.405  7.629  H283  NGU 88  
NGU H291  1H29 H 0 0 N N N 5.172  14.296 25.785 3.560  1.423  2.172  H291  NGU 89  
NGU H292  2H29 H 0 0 N N N 5.895  12.640 25.636 1.875  1.671  2.688  H292  NGU 90  
NGU H293  3H29 H 0 0 N N N 4.213  12.771 25.990 3.196  2.520  3.526  H293  NGU 91  
NGU H30   H30  H 0 1 N N N 8.274  0.567  24.356 -2.025 -0.625 -6.994 H30   NGU 92  
NGU H31   H31  H 0 1 N N N 6.315  0.019  23.288 -0.912 1.239  -7.764 H31   NGU 93  
NGU H32   H32  H 0 1 N N N 5.525  2.820  23.209 0.890  1.164  -5.317 H32   NGU 94  
NGU H33   H33  H 0 1 N N N 6.534  1.290  20.697 1.490  0.383  -8.216 H33   NGU 95  
NGU H221  1H22 H 0 0 N N N 8.600  1.704  19.718 1.739  -3.205 -7.011 H221  NGU 96  
NGU H222  2H22 H 0 0 N N N 8.421  3.529  19.675 2.091  -2.142 -8.394 H222  NGU 97  
NGU H223  3H22 H 0 0 N N N 9.749  2.883  20.525 3.090  -2.049 -6.924 H223  NGU 98  
NGU H231  1H23 H 0 0 N N N 3.826  3.196  22.742 3.039  2.451  -6.081 H231  NGU 99  
NGU H232  2H23 H 0 0 N N N 2.807  2.367  21.487 2.414  4.115  -6.171 H232  NGU 100 
NGU H241  1H24 H 0 0 N N N 2.901  -0.376 21.976 0.173  4.518  -6.676 H241  NGU 101 
NGU H242  2H24 H 0 0 N N N 4.667  -0.592 21.631 -0.908 3.199  -7.185 H242  NGU 102 
NGU H243  3H24 H 0 0 N N N 4.163  -0.444 23.274 -0.391 3.321  -5.486 H243  NGU 103 
NGU H15   H15  H 0 1 N N N 4.840  0.911  24.880 -2.477 1.547  -6.118 H15   NGU 104 
NGU H16   H16  H 0 1 N N N 6.138  3.358  19.901 3.226  1.323  -7.052 H16   NGU 105 
NGU H23   H23  H 0 1 N N N 1.417  3.461  23.208 2.474  3.302  -4.029 H23   NGU 106 
# 
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 
NGU C1    C2    DOUB Y N 1   
NGU C1    C21   SING Y N 2   
NGU C1    O1    SING N N 3   
NGU C2    C3    SING Y N 4   
NGU C2    C34   SING N N 5   
NGU C3    C4    DOUB Y N 6   
NGU C3    H3    SING N N 7   
NGU C4    C16   SING Y N 8   
NGU C4    O4    SING N N 9   
NGU C5    C16   SING N N 10  
NGU C5    C17   SING N N 11  
NGU C5    O5    DOUB N N 12  
NGU C6    C17   SING Y N 13  
NGU C6    C18   DOUB Y N 14  
NGU C6    O6    SING N N 15  
NGU C7    C8    SING N N 16  
NGU C7    C18   SING N N 17  
NGU C7    O7    SING N N 18  
NGU C7    H7    SING N N 19  
NGU C8    C9    SING N N 20  
NGU C8    H81   SING N N 21  
NGU C8    H82   SING N N 22  
NGU C9    C10   SING N N 23  
NGU C9    C13   SING N N 24  
NGU C9    O9    SING N N 25  
NGU C10   C14   SING N N 26  
NGU C10   C19   SING N N 27  
NGU C10   H10   SING N N 28  
NGU C11   C19   DOUB Y N 29  
NGU C11   C20   SING Y N 30  
NGU C11   H11   SING N N 31  
NGU C12   C20   SING N N 32  
NGU C12   C21   SING N N 33  
NGU C12   O12   DOUB N N 34  
NGU C13   H131  SING N N 35  
NGU C13   H132  SING N N 36  
NGU C13   H133  SING N N 37  
NGU C14   O10   SING N N 38  
NGU C14   O14   DOUB N N 39  
NGU C15   O10   SING N N 40  
NGU C15   H151  SING N N 41  
NGU C15   H152  SING N N 42  
NGU C15   H153  SING N N 43  
NGU C16   C21   DOUB Y N 44  
NGU C17   C20   DOUB Y N 45  
NGU C18   C19   SING Y N 46  
NGU O1    C30   SING N N 47  
NGU O4    HO4   SING N N 48  
NGU O6    HO6   SING N N 49  
NGU O7    "C1'" SING N N 50  
NGU O9    HO9   SING N N 51  
NGU "C1'" "C2'" SING N N 52  
NGU "C1'" "O1'" SING N N 53  
NGU "C1'" "H1'" SING N N 54  
NGU "C2'" "C3'" SING N N 55  
NGU "C2'" "O2'" SING N N 56  
NGU "C2'" "H2'" SING N N 57  
NGU "C3'" "C4'" SING N N 58  
NGU "C3'" C28   SING N N 59  
NGU "C3'" "O3'" SING N N 60  
NGU "C4'" "C5'" SING N N 61  
NGU "C4'" "O4'" SING N N 62  
NGU "C4'" "H4'" SING N N 63  
NGU "C5'" C25   SING N N 64  
NGU "C5'" "O1'" SING N N 65  
NGU "C5'" "H5'" SING N N 66  
NGU C25   H251  SING N N 67  
NGU C25   H252  SING N N 68  
NGU C25   H253  SING N N 69  
NGU C26   "O4'" SING N N 70  
NGU C26   H261  SING N N 71  
NGU C26   H262  SING N N 72  
NGU C26   H263  SING N N 73  
NGU C27   "O3'" SING N N 74  
NGU C27   H271  SING N N 75  
NGU C27   H272  SING N N 76  
NGU C27   H273  SING N N 77  
NGU C28   H281  SING N N 78  
NGU C28   H282  SING N N 79  
NGU C28   H283  SING N N 80  
NGU C29   "O2'" SING N N 81  
NGU C29   H291  SING N N 82  
NGU C29   H292  SING N N 83  
NGU C29   H293  SING N N 84  
NGU C30   C31   SING N N 85  
NGU C30   O2    SING N N 86  
NGU C30   H30   SING N N 87  
NGU C31   C32   SING N N 88  
NGU C31   O15   SING N N 89  
NGU C31   H31   SING N N 90  
NGU C32   C33   SING N N 91  
NGU C32   N1    SING N N 92  
NGU C32   H32   SING N N 93  
NGU C33   C34   SING N N 94  
NGU C33   O16   SING N N 95  
NGU C33   H33   SING N N 96  
NGU C34   C22   SING N N 97  
NGU C34   O2    SING N N 98  
NGU C22   H221  SING N N 99  
NGU C22   H222  SING N N 100 
NGU C22   H223  SING N N 101 
NGU C23   N1    SING N N 102 
NGU C23   O23   SING N N 103 
NGU C23   H231  SING N N 104 
NGU C23   H232  SING N N 105 
NGU C24   N1    SING N N 106 
NGU C24   H241  SING N N 107 
NGU C24   H242  SING N N 108 
NGU C24   H243  SING N N 109 
NGU O15   H15   SING N N 110 
NGU O16   H16   SING N N 111 
NGU O23   H23   SING N N 112 
# 
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 
NGU SMILES           ACDLabs              10.04 O=C(OC)C7c4c(c(O)c5C(=O)c3c(O)cc1c(OC2OC1(C(O)C(N(C)CO)C2O)C)c3C(=O)c5c4)C(OC6OC(C)C(OC)C(OC)(C)C6OC)CC7(O)C 
NGU InChI            InChI                1.02b 
;InChI=1/C39H49NO17/c1-14-32(50-6)39(4,53-9)33(51-7)36(54-14)55-19-12-37(2,49)24(34(48)52-8)15-10-16-21(27(44)20(15)19)28(45)22-18(42)11-17-30(23(22)26(16)43)56-35-29(46)25(40(5)13-41)31(47)38(17,3)57-35/h10-11,14,19,24-25,29,31-33,35-36,41-42,44,46-47,49H,12-13H2,1-9H3/t14-,19-,24-,25-,29-,31+,32-,33-,35+,36-,37-,38+,39+/m0/s1
;
NGU InChIKey         InChI                1.02b LZNCBRPUGPTNSO-JYOBTZKQBD 
NGU SMILES_CANONICAL CACTVS               3.341 CO[C@H]1[C@H](C)O[C@@H](O[C@H]2C[C@](C)(O)[C@H](C(=O)OC)c3cc4C(=O)c5c6O[C@@H]7O[C@@](C)([C@H](O)[C@H]([C@@H]7O)N(C)CO)c6cc(O)c5C(=O)c4c(O)c23)[C@H](OC)[C@]1(C)OC 
NGU SMILES           CACTVS               3.341 CO[CH]1[CH](C)O[CH](O[CH]2C[C](C)(O)[CH](C(=O)OC)c3cc4C(=O)c5c6O[CH]7O[C](C)([CH](O)[CH]([CH]7O)N(C)CO)c6cc(O)c5C(=O)c4c(O)c23)[CH](OC)[C]1(C)OC 
NGU SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C[C@H]1[C@@H]([C@@]([C@H]([C@@H](O1)O[C@H]2C[C@]([C@@H](c3c2c(c4c(c3)C(=O)c5c(c(cc6c5O[C@H]7[C@H]([C@@H]([C@H]([C@@]6(O7)C)O)[N@@](C)CO)O)O)C4=O)O)C(=O)OC)(C)O)OC)(C)OC)OC 
NGU SMILES           "OpenEye OEToolkits" 1.5.0 CC1C(C(C(C(O1)OC2CC(C(c3c2c(c4c(c3)C(=O)c5c(c(cc6c5OC7C(C(C(C6(O7)C)O)N(C)CO)O)O)C4=O)O)C(=O)OC)(C)O)OC)(C)OC)OC 
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_pdbx_chem_comp_identifier.comp_id           NGU 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           ACDLabs 
_pdbx_chem_comp_identifier.program_version   10.04 
_pdbx_chem_comp_identifier.identifier        
;methyl (2R,3S,4R,5R,6R,11S,13S,14R)-11-[(6-deoxy-3-C-methyl-2,3,4-tri-O-methyl-alpha-L-mannopyranosyl)oxy]-3,5,8,10,13-pentahydroxy-4-[(hydroxymethyl)(methyl)amino]-6,13-dimethyl-9,16-dioxo-3,4,5,6,9,11,12,13,14,16-decahydro-2H-2,6-epoxytetraceno[1,2-b]oxocine-14-carboxylate
;
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