synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD112244 | 3.88 | 584.65 | C29H32O9N2S | CCc1c(C)c(C#N)c(=S)n([C@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c1-c1ccccc1 |
|
GD112243 | 3.88 | 584.65 | C29H32O9N2S | CCc1c(C)c(C#N)c(=S)n([C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c1-c1ccccc1 |
|
GD112247 | 3.88 | 584.65 | C29H32O9N2S | CCc1c(C)c(C#N)c(=S)n([C@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c1-c1ccccc1 |
|
GD112239 | 3.88 | 584.65 | C29H32O9N2S | CCc1c(C)c(C#N)c(=S)n([C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c1-c1ccccc1 |
|
GD112250 | 3.63 | 570.62 | C28H30O9N2S | CC(=O)OC[C@@H]1O[C@H](n2c(-c3ccccc3)c(C)c(C)c(C#N)c2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD112249 | 3.63 | 570.62 | C28H30O9N2S | CC(=O)OC[C@@H]1O[C@@H](n2c(-c3ccccc3)c(C)c(C)c(C#N)c2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD112241 | 3.63 | 570.62 | C28H30O9N2S | CC(=O)OC[C@@H]1O[C@H](n2c(-c3ccccc3)c(C)c(C)c(C#N)c2=S)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD112246 | 3.63 | 570.62 | C28H30O9N2S | CC(=O)OC[C@@H]1O[C@@H](n2c(-c3ccccc3)c(C)c(C)c(C#N)c2=S)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110645 | 2.52 | 522.58 | C24H30O9N2S | CCc1c(C)c(C#N)c(=S)n([C@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c1C |
|
GD110642 | 2.52 | 522.58 | C24H30O9N2S | CCc1c(C)c(C#N)c(=S)n([C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c1C |