synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD044566 | -4.63 | 268.3 | C7H16O5N4S | O=C([C@@H](O)CO)[C@@H](O)[C@H](O)[C@H]1NN[C@@H](S)NN1 |
|
GD044567 | -4.63 | 268.3 | C7H16O5N4S | O=C([C@@H](O)CO)[C@H](O)[C@@H](O)[C@H]1NN[C@@H](S)NN1 |
|
GD052078 | -0.55 | 300.27 | C12H16O7N2 | COc1ccc(N[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)c([N+](=O)[O-])c1 |
|
GD052060 | -0.55 | 300.27 | C12H16O7N2 | COc1ccc(N[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1 |
|
GD046147 | -0.55 | 270.24 | C11H14O6N2 | O=[N+]([O-])c1cccc(N[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c1 |
|
GD113880 | 5.02 | 804.85 | C44H44O11N4 | COc1ccc(C(OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](Cn2c3nc(=O)[nH]c(=O)c-3nc3cc(C)c(C)cc32)OC(C)=O)(c2ccccc2)c2ccc(OC)cc2)cc1 |
|
GD113881 | 5.02 | 804.85 | C44H44O11N4 | COc1ccc(C(OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](Cn2c3nc(=O)[nH]c(=O)c-3nc3cc(C)c(C)cc32)OC(C)=O)(c2ccccc2)c2ccc(OC)cc2)cc1 |
|
GD104676 | 2.47 | 497.55 | C21H23O9NS2 | CC(=O)OC[C@@H]1O[C@H](Sc2nc3ccccc3s2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD104677 | 2.47 | 497.55 | C21H23O9NS2 | CC(=O)OC[C@@H]1O[C@H](Sc2nc3ccccc3s2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD104675 | 2.47 | 497.55 | C21H23O9NS2 | CC(=O)OC[C@@H]1O[C@H](Sc2nc3ccccc3s2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |