synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD107038 | 0.5 | 500.46 | C25H24O11 | CC(=O)[C@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O |
|
GD107037 | 0.5 | 500.46 | C25H24O11 | CC(=O)[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O |
|
GD107036 | 0.5 | 500.46 | C25H24O11 | CC(=O)[C@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O |
|
GD107039 | 0.5 | 500.46 | C25H24O11 | CC(=O)[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O |
|
GD103728 | 0.68 | 477.21 | C15H16O7N3I | CC(=O)OC[C@H]1O[C@@H](n2cnc(C#N)c2I)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD106340 | -0.83 | 678.59 | C28H38O19 | CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD110938 | 3.04 | 556.01 | C30H30O8NCl | CC1(C)Cc2c(-c3ccccc3)c(-c3ccc(Cl)cc3)c(CC(=O)O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)n2C1 |
|
GD108184 | 1.8 | 599.04 | C29H31O7N6Cl | CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnnn2[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1 |
|
GD108185 | 1.8 | 599.04 | C29H31O7N6Cl | CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn([C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)n2)cc1 |
|
GD092569 | 0.27 | 442.42 | C22H22O8N2 | Cc1ccccc1-n1c(C)nc2ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cc2c1=O |