natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD099205 | -0.51 | 465.5 | C23H31O9N | C=C(C)COc1ccc2c(C)c(CC(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c(=O)oc2c1 |
|
GD099206 | -0.51 | 465.5 | C23H31O9N | C=C(C)COc1ccc2c(C)c(CC(=O)N(C)C[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)c(=O)oc2c1 |
|
GD099403 | 0.45 | 460.39 | C22H20O11 | COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c(=O)cc(-c3ccccc3)oc12 |
|
GD099404 | 0.15 | 476.39 | C22H20O12 | COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O |
|
GD099407 | 0.06 | 462.41 | C22H22O11 | COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O |
|
GD099410 | 0.3 | 496.47 | C23H28O12 | COc1c(C)c2c(c(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c1C/C=C(\C)CCC(=O)O)C(=O)OC2 |
|
GD099416 | 0.68 | 453.4 | C20H23O11N | CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)Nc1ccc(C(=O)O)cc1 |
|
GD099418 | 0.68 | 453.4 | C20H23O11N | CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)Nc1ccc(C(=O)O)cc1 |
|
GD099421 | 0.5 | 464.51 | C24H32O9 | C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@H]1C[C@@H](O[C@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]2O |
|
GD099422 | 0.5 | 464.51 | C24H32O9 | C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C[C@@H](O[C@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]2O |