synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD085096 | -0.52 | 423.47 | C15H21O9NS2 | CO[C@@H]1OC[C@@H](NC(=O)c2ccccc2)[C@@H](OS(C)(=O)=O)[C@@H]1OS(C)(=O)=O |
|
GD045261 | -0.76 | 269.25 | C12H15O6N | O=C(O)c1ccccc1N[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O |
|
GD109587 | 2.04 | 594.66 | C26H30O10N2S2 | CC(=O)OC[C@H]1O[C@@H](N2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD109583 | 2.04 | 594.66 | C26H30O10N2S2 | CC(=O)OC[C@@H]1O[C@@H](N2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD108619 | 1.99 | 611.65 | C26H29O12NS2 | COc1ccc(OC)c(/C=C2/SC(=S)N([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)C2=O)c1 |
|
GD108624 | 1.99 | 611.65 | C26H29O12NS2 | COc1ccc(OC)c(/C=C2/SC(=S)N([C@@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)C2=O)c1 |
|
GD111342 | 3.28 | 620.49 | C26H23O10NCl2S2 | CC(=O)OC[C@H]1O[C@@H](N2C(=O)/C(=C\c3c(Cl)cccc3Cl)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD111341 | 3.28 | 620.49 | C26H23O10NCl2S2 | CC(=O)OC[C@@H]1O[C@@H](N2C(=O)/C(=C\c3c(Cl)cccc3Cl)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD108613 | 1.95 | 555.58 | C23H25O11NS2 | CC(=O)OC[C@@H]1O[C@H](N2C(=O)/C(=C(\C)c3ccco3)SC2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD108615 | 1.95 | 555.58 | C23H25O11NS2 | CC(=O)OC[C@@H]1O[C@@H](N2C(=O)/C(=C(\C)c3ccco3)SC2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |