synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD085904 | 0.83 | 420.44 | C19H20O7N2S | CC(=O)c1c(-c2ccco2)c(C#N)c(=S)n([C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1C |
|
GD085907 | 0.83 | 420.44 | C19H20O7N2S | CC(=O)c1c(-c2ccco2)c(C#N)c(=S)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1C |
|
GD111535 | 3.12 | 588.59 | C27H28O11N2S | CC(=O)OC[C@@H]1O[C@H](n2c(C)c(C(C)=O)c(-c3ccco3)c(C#N)c2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD111537 | 3.12 | 588.59 | C27H28O11N2S | CC(=O)OC[C@@H]1O[C@@H](n2c(C)c(C(C)=O)c(-c3ccco3)c(C#N)c2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD111533 | 3.12 | 588.59 | C27H28O11N2S | CC(=O)OC[C@@H]1O[C@H](n2c(C)c(C(C)=O)c(-c3ccco3)c(C#N)c2=S)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD111536 | 3.12 | 588.59 | C27H28O11N2S | CC(=O)OC[C@@H]1O[C@@H](n2c(C)c(C(C)=O)c(-c3ccco3)c(C#N)c2=S)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD111532 | 3.23 | 557.02 | C28H25O7N2ClS | CCOC(=O)c1c(-c2ccc(Cl)cc2)c(C#N)c(=S)n([C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1-c1ccccc1 |
|
GD111539 | 3.23 | 557.02 | C28H25O7N2ClS | CCOC(=O)c1c(-c2ccc(Cl)cc2)c(C#N)c(=S)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1-c1ccccc1 |
|
GD111543 | 3.23 | 557.02 | C28H25O7N2ClS | CCOC(=O)c1c(-c2ccc(Cl)cc2)c(C#N)c(=S)n([C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1-c1ccccc1 |
|
GD111546 | 3.23 | 557.02 | C28H25O7N2ClS | CCOC(=O)c1c(-c2ccc(Cl)cc2)c(C#N)c(=S)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1-c1ccccc1 |