synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD112252 | 3.51 | 612.66 | C30H32O10N2S | COc1ccc(-c2c3c(n([C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)c(=S)c2C#N)CCC3)cc1 |
|
GD112253 | 3.51 | 612.66 | C30H32O10N2S | COc1ccc(-c2c3c(n([C@@H]4O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)c(=S)c2C#N)CCC3)cc1 |
|
GD112251 | 3.51 | 612.66 | C30H32O10N2S | COc1ccc(-c2c3c(n([C@@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)c(=S)c2C#N)CCC3)cc1 |
|
GD112254 | 3.51 | 612.66 | C30H32O10N2S | COc1ccc(-c2c3c(n([C@@H]4O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)c(=S)c2C#N)CCC3)cc1 |
|
GD111542 | 3.09 | 572.59 | C27H28O10N2S | CC(=O)OC[C@H]1O[C@@H](n2c3c(c(-c4ccco4)c(C#N)c2=S)CCC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD111538 | 3.09 | 572.59 | C27H28O10N2S | CC(=O)OC[C@@H]1O[C@@H](n2c3c(c(-c4ccco4)c(C#N)c2=S)CCC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD111540 | 3.09 | 572.59 | C27H28O10N2S | CC(=O)OC[C@H]1O[C@@H](n2c3c(c(-c4ccco4)c(C#N)c2=S)CCC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD111545 | 3.09 | 572.59 | C27H28O10N2S | CC(=O)OC[C@@H]1O[C@@H](n2c3c(c(-c4ccco4)c(C#N)c2=S)CCC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110650 | 2.58 | 552.61 | C28H28O8N2S | CCOC(=O)c1c(-c2ccc(OC)cc2)c(C#N)c(=S)n([C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1-c1ccccc1 |
|
GD110649 | 2.58 | 552.61 | C28H28O8N2S | CCOC(=O)c1c(-c2ccc(OC)cc2)c(C#N)c(=S)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1-c1ccccc1 |