natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD086420 | -2.47 | 448.42 | C19H28O12 | COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1[C@H](O)C[C@@]2(C)OC(C)=O |
|
GD086421 | -2.47 | 448.42 | C19H28O12 | COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1[C@@H](O)C[C@]2(C)OC(C)=O |
|
GD086422 | -1.67 | 443.53 | C18H29O6N5S | CC(C)S(=O)(=O)NC[C@H]1O[C@@H](CC(=O)N2CCN(c3ncccn3)CC2)[C@H](O)[C@@H]1O |
|
GD086423 | -2.69 | 446.41 | C19H26O12 | COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(COC(C)=O)=C[C@H](O)[C@H]12 |
|
GD086424 | -1.39 | 444.43 | C20H28O11 | COC(=O)C[C@](C)(O)CC(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |
|
GD086425 | -1.39 | 444.43 | C20H28O11 | COC(=O)C[C@@](C)(O)CC(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |
|
GD086427 | -1.1 | 431.49 | C18H26O6N3FS | CS(=O)(=O)NC[C@H]1O[C@@H](CC(=O)N2CCN(c3ccc(F)cc3)CC2)[C@H](O)[C@@H]1O |
|
GD086428 | -1.36 | 446.43 | C18H22O11S | CSC(=O)OCC1=C[C@@H]2OC(=O)C3=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]1[C@@H]32 |
|
GD086431 | -1.36 | 446.43 | C18H22O11S | CSC(=O)OCC1=C[C@H]2OC(=O)C3=CO[C@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)[C@@H]1[C@H]32 |
|
GD086432 | -1.38 | 434.44 | C19H30O11 | CCO[C@@H]1C[C@H]2C(C(=O)OC)=CO[C@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]2[C@@H](C)O1 |