active glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD001349 | -3.62 | 591.36 | C17H27O16N3P2 | CC(=O)N[C@@H]1[C@H](OP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)O[C@H](C)[C@H](O)[C@H]1O |
|
GD001470 | -3.62 | 591.36 | C17H27O16N3P2 | CC(=O)N[C@H]1[C@H](OP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)O[C@@H](CO)C[C@H]1O |
|
GD018794 | 3.59 | 562.7 | C31H46O9 | CC=C(C)C(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(C)C=C(C)C=CCC(C)C=Cc1oc(OC)c(C)c(=O)c1C |
|
GD012902 | 3.85 | 576.73 | C32H48O9 | CC=C(C)C(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(C)C=C(C)C=CCC(C)C=Cc1oc(OC)c(CC)c(=O)c1C |
|
GD028578 | 3.85 | 545.72 | C27H45O9S | CO[C@H]1O[C@@H](OC)[C@](O)(CC[C@@H]2C(=COS(=O)(=O)[O-])CC[C@H]3[C@]2(C)CC[C@@H]2C(C)(C)CCC[C@]23C)[C@H]1O |
|
GD009592 | -2.96 | 507.49 | C21H33O13N | CC(C)(C)C(=O)c1cc(CO[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)on1 |
|
GD033995 | 0.02 | 368.41 | C17H20O7S | C#CCO[C@H]1[C@H](O)[C@@H](Sc2ccccc2C(=O)OC)O[C@@H](CO)[C@H]1O |
|
GD009816 | 0.15 | 394.45 | C18H22O6N2S | Cc1nc(NC(=O)Cc2ccccc2)sc1[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
|
GD001467 | 0.92 | 466.54 | C20H22O7N2S2 | Cc1nc(NS(=O)(=O)c2ccc3ccccc3c2)sc1[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
|
GD007360 | 0.22 | 380.42 | C17H20O6N2S | Cc1nc(NC(=O)c2ccccc2)sc1[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |