natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD106510 | -0.42 | 585.56 | C26H35O14N | COc1cc(C(=O)N(CCO)CCO)ccc1O[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD106515 | -0.83 | 678.59 | C28H38O19 | CC(=O)OC[C@@H]1O[C@@H](O[C@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD106516 | -0.83 | 678.59 | C28H38O19 | CC(=O)OC[C@@H]1O[C@@H](O[C@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD106517 | -0.83 | 678.59 | C28H38O19 | CC(=O)OC[C@@H]1O[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD106518 | -0.83 | 678.59 | C28H38O19 | CC(=O)OC[C@@H]1O[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD106545 | -0.93 | 604.6 | C27H40O15 | CC(=O)OC[C@@]1(O)[C@@H](OC(C)=O)C[C@@H]2C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(C)=O)=CO[C@@H](OC(=O)CC(C)C)[C@@H]21 |
|
GD106561 | -0.34 | 524.52 | C25H32O12 | C/C=C1/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)OCCc1ccc(O)cc1 |
|
GD106562 | -0.21 | 562.52 | C27H30O13 | COc1cc([C@@H]2c3cc4c(c(O[C@H]5O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]5O)c3C[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O |
|
GD106563 | -0.21 | 562.52 | C27H30O13 | COc1cc([C@@H]2c3cc4c(c(O[C@H]5O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]5O)c3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O |
|
GD106564 | -0.21 | 562.52 | C27H30O13 | COc1cc([C@H]2c3cc4c(c(O[C@H]5O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]5O)c3C[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O |