synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD112866 | 5.2 | 653.72 | C34H31O7N5S | Cc1ccc(C(=O)OC[C@@H]2O[C@@H](n3cnc4c(=S)[nH]c(N)nc43)[C@@H](OC(=O)c3ccc(C)cc3)[C@H]2OC(=O)c2ccc(C)cc2)cc1 |
|
GD112865 | 5.2 | 653.72 | C34H31O7N5S | Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3cnc4c(=S)[nH]c(N)nc43)[C@@H](OC(=O)c3ccc(C)cc3)[C@@H]2OC(=O)c2ccc(C)cc2)cc1 |
|
GD112864 | 5.2 | 653.72 | C34H31O7N5S | Cc1ccc(C(=O)OC[C@@H]2O[C@@H](n3cnc4c(=S)[nH]c(N)nc43)[C@@H](OC(=O)c3ccc(C)cc3)[C@@H]2OC(=O)c2ccc(C)cc2)cc1 |
|
GD112669 | 4.56 | 639.68 | C32H33O11NS | CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O |
|
GD112868 | 4.56 | 639.68 | C32H33O11NS | CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O |
|
GD112668 | 4.56 | 639.68 | C32H33O11NS | CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O |
|
GD112869 | 4.56 | 639.68 | C32H33O11NS | CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O |
|
GD112927 | 4.71 | 624.56 | C33H24O11N2 | O=C(O[C@@H]1CO[C@H](n2c(=O)oc3cc([N+](=O)[O-])ccc32)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 |
|
GD112926 | 4.71 | 624.56 | C33H24O11N2 | O=C(O[C@H]1CO[C@H](n2c(=O)oc3cc([N+](=O)[O-])ccc32)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 |
|
GD112922 | 4.71 | 624.56 | C33H24O11N2 | O=C(O[C@@H]1CO[C@@H](n2c(=O)oc3cc([N+](=O)[O-])ccc32)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 |