natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD007966 | -1.78 | 388.37 | C17H24O10 | C=CC1C(CC=O)C(C(=O)OC)=CO[C@H]1OC1OC(CO)C(O)C(O)C1O |
|
GD007984 | 0.35 | 446.41 | C22H22O10 | COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc(O)c3c2=O)cc1 |
|
GD007987 | 0.89 | 478.41 | C22H22O12 | COc1cc(C=CC(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)c(O)c2)C(=O)O)cc(OC)c1O |
|
GD007999 | -1.34 | 237.22 | C9H11O3N5 | Nc1ncnc2c1ncn2C1OCC(O)C1O |
|
GD008005 | 1.1 | 484.63 | C26H44O8 | CC1(C)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@@H]3CC[C@@](C)([C@H](O)CO)C=C3CC[C@@H]12 |
|
GD008007 | 1.67 | 726.82 | C30H46O16S2 | C=C1C2CC[C@@H]3[C@](CC[C@@H]4[C@H](C(=O)O)C[C@H](O[C@@H]5O[C@H](CO)[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]5OC(=O)CC(C)C)C[C@]34C)(C2)[C@H]1O |
|
GD008010 | 9.68 | 851.24 | C45H86O12S | CCCCCCCCCCCCCCCCCC(=O)OCC(CO[C@@H]1O[C@H](CS(=O)(=O)O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCC |
|
GD008011 | 3.01 | 530.66 | C30H42O8 | C[C@@H]1O[C@H](O[C@@H]2C=C3CC[C@@H]4[C@H](CC[C@]5(C)[C@H](c6ccc(=O)oc6)CC[C@]45O)[C@@]3(C)CC2)[C@H](O)[C@H](O)[C@H]1O |
|
GD008015 | -1.59 | 710.73 | C34H46O16 | COC(=O)[C@]12OC[C@@]34[C@H](C[C@@H]5C(C)=C(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(=O)C[C@@]5(C)[C@H]3[C@H](O)[C@H]1O)OC(=O)[C@@H](OC(=O)C=C(C)C(C)C)[C@@H]24 |
|
GD008027 | 0.61 | 985.13 | C49H76O20 | CC(=O)O[C@@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4CC[C@]5(C)[C@H](CC[C@@H]6[C@H]5CC[C@]5(C)[C@H](C7=CC(=O)OC7)[C@H](O)C[C@]65O)C4)C[C@H]3O)C[C@H]2O)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |