synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD113738 | 9.51 | 795.01 | C44H42O8S3 | CCS[C@@H](Sc1ccccc1)[C@@H](SCC)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@@H](COC(=O)c1ccccc1)OC(=O)c1ccccc1 |
|
GD113737 | 9.51 | 795.01 | C44H42O8S3 | CCS[C@@H](Sc1ccccc1)[C@H](SCC)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@@H](COC(=O)c1ccccc1)OC(=O)c1ccccc1 |
|
GD112933 | 4.96 | 687.57 | C33H25O14N3 | O=C(OC[C@@H]1O[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](OCc2ccccc2)[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 |
|
GD112931 | 4.96 | 687.57 | C33H25O14N3 | O=C(OC[C@@H]1O[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](OCc2ccccc2)[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 |
|
GD112932 | 4.96 | 687.57 | C33H25O14N3 | O=C(OC[C@@H]1O[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](OCc2ccccc2)[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 |
|
GD112930 | 4.96 | 687.57 | C33H25O14N3 | O=C(OC[C@@H]1O[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](OCc2ccccc2)[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 |
|
GD106758 | -0.99 | 678.59 | C28H38O19 | CC(=O)OC[C@@H](OC(C)=O)[C@H](O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O)[C@H](OC(C)=O)[C@@H](C=O)OC(C)=O |
|
GD106757 | -0.99 | 678.59 | C28H38O19 | CC(=O)OC[C@@H]1O[C@@H](O[C@H]([C@H](OC(C)=O)[C@@H](C=O)OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD106756 | -0.99 | 678.59 | C28H38O19 | CC(=O)OC[C@@H](OC(C)=O)[C@H](O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O)[C@H](OC(C)=O)[C@@H](C=O)OC(C)=O |
|
GD106755 | -0.99 | 678.59 | C28H38O19 | CC(=O)OC[C@@H]1O[C@@H](O[C@H]([C@H](OC(C)=O)[C@@H](C=O)OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |