synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD112990 | 4.69 | 648.69 | C33H32O10N2S | COc1ccc(-c2cc(-c3ccccc3)n([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)c2C#N)cc1 |
|
GD112988 | 4.69 | 648.69 | C33H32O10N2S | COc1ccc(-c2cc(-c3ccccc3)n([C@@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)c2C#N)cc1 |
|
GD112989 | 4.69 | 648.69 | C33H32O10N2S | COc1ccc(-c2cc(-c3ccccc3)n([C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)c2C#N)cc1 |
|
GD112991 | 4.69 | 648.69 | C33H32O10N2S | COc1ccc(-c2cc(-c3ccccc3)n([C@@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)c2C#N)cc1 |
|
GD112993 | 4.65 | 678.72 | C34H34O11N2S | CCOC(=O)c1c(-c2cccc3ccccc23)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 |
|
GD112992 | 4.65 | 678.72 | C34H34O11N2S | CCOC(=O)c1c(-c2cccc3ccccc23)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 |
|
GD112994 | 4.65 | 678.72 | C34H34O11N2S | CCOC(=O)c1c(-c2cccc3ccccc23)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 |
|
GD112995 | 4.65 | 678.72 | C34H34O11N2S | CCOC(=O)c1c(-c2cccc3ccccc23)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 |
|
GD114134 | 5.04 | 646.72 | C34H34O9N2S | CC(=O)OC[C@H]1O[C@@H](n2c3c(c(-c4cccc5ccccc45)c(C#N)c2=S)CCCC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD114133 | 5.04 | 646.72 | C34H34O9N2S | CC(=O)OC[C@@H]1O[C@@H](n2c3c(c(-c4cccc5ccccc45)c(C#N)c2=S)CCCC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |