synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD112977 | 4.72 | 662.63 | C32H26O12N2S | O=C(Nc1ccccc1)O[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 |
|
GD112976 | 4.72 | 662.63 | C32H26O12N2S | O=C(Nc1ccccc1)O[C@@H]1O[C@@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 |
|
GD113859 | 5.79 | 720.8 | C40H36O9N2S | CCOC(=O)C1=C(C)N([C@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)C(=S)N[C@@H]1c1ccccc1 |
|
GD113861 | 5.79 | 720.8 | C40H36O9N2S | CCOC(=O)C1=C(C)N([C@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)C(=S)N[C@H]1c1ccccc1 |
|
GD113860 | 5.79 | 720.8 | C40H36O9N2S | CCOC(=O)C1=C(C)N([C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)C(=S)N[C@@H]1c1ccccc1 |
|
GD113858 | 5.79 | 720.8 | C40H36O9N2S | CCOC(=O)C1=C(C)N([C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)C(=S)N[C@H]1c1ccccc1 |
|
GD112633 | 4.15 | 663.1 | C31H31O11N2ClS | CCOC(=O)c1c(-c2ccc(Cl)cc2)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 |
|
GD112632 | 4.15 | 663.1 | C31H31O11N2ClS | CCOC(=O)c1c(-c2ccc(Cl)cc2)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 |
|
GD112635 | 4.15 | 663.1 | C31H31O11N2ClS | CCOC(=O)c1c(-c2ccc(Cl)cc2)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 |
|
GD112634 | 4.15 | 663.1 | C31H31O11N2ClS | CCOC(=O)c1c(-c2ccc(Cl)cc2)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 |