synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD112234 | 3.9 | 626.68 | C31H34O10N2S | 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)CCCC3)cc1 |
|
GD112235 | 3.9 | 626.68 | C31H34O10N2S | 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)CCCC3)cc1 |
|
GD112229 | 3.9 | 626.68 | C31H34O10N2S | 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)CCCC3)cc1 |
|
GD112233 | 3.9 | 626.68 | C31H34O10N2S | 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)CCCC3)cc1 |
|
GD112963 | 4.54 | 631.1 | C31H31O9N2ClS | CC(=O)OC[C@H]1O[C@@H](n2c3c(c(-c4ccc(Cl)cc4)c(C#N)c2=S)CCCC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD112965 | 4.54 | 631.1 | C31H31O9N2ClS | CC(=O)OC[C@@H]1O[C@@H](n2c3c(c(-c4ccc(Cl)cc4)c(C#N)c2=S)CCCC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD112964 | 4.54 | 631.1 | C31H31O9N2ClS | CC(=O)OC[C@H]1O[C@@H](n2c3c(c(-c4ccc(Cl)cc4)c(C#N)c2=S)CCCC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD112966 | 4.54 | 631.1 | C31H31O9N2ClS | CC(=O)OC[C@@H]1O[C@@H](n2c3c(c(-c4ccc(Cl)cc4)c(C#N)c2=S)CCCC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD111525 | 3.48 | 586.62 | C28H30O10N2S | CC(=O)OC[C@H]1O[C@@H](n2c3c(c(-c4ccco4)c(C#N)c2=S)CCCC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD111529 | 3.48 | 586.62 | C28H30O10N2S | CC(=O)OC[C@@H]1O[C@@H](n2c3c(c(-c4ccco4)c(C#N)c2=S)CCCC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |