synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD110404 | -0.04 | 656.77 | C35H48O10N2 | C[C@@H]1CCCC[N@H+]1Cc1c(O)c(C[N@@H+]2CCCC[C@H]2C)c2occ(-c3ccc(O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)cc3)c(=O)c2c1O |
|
GD109572 | 0.6 | 627.71 | C33H43O10N2 | O=c1c(-c2ccc(O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)coc2c(CN3CCCCC3)c(O)c(C[NH+]3CCCCC3)c(O)c12 |
|
GD109571 | 0.6 | 627.71 | C33H43O10N2 | O=c1c(-c2ccc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)coc2c(CN3CCCCC3)c(O)c(C[NH+]3CCCCC3)c(O)c12 |
|
GD107577 | 0.75 | 520.44 | C24H24O13 | CC(=O)OC[C@@H]1O[C@@H](OC2=CC(=O)c3c(O)cccc3C2=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD107578 | 0.75 | 520.44 | C24H24O13 | CC(=O)OC[C@@H]1O[C@H](OC2=CC(=O)c3c(O)cccc3C2=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD099405 | 0.69 | 460.44 | C23H24O10 | CCOc1cc2occ(-c3ccc(O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)cc3)c(O)c-2c(=O)c1 |
|
GD099406 | 0.69 | 460.44 | C23H24O10 | CCOc1cc2occ(-c3ccc(O[C@@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)cc3)c(O)c-2c(=O)c1 |
|
GD099571 | 0.4 | 472.45 | C23H24O9N2 | OC[C@@H]1O[C@H](Oc2ccc(-c3n[nH]cc3-c3ccc4c(c3)OCCO4)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O |
|
GD099572 | 0.4 | 472.45 | C23H24O9N2 | OC[C@@H]1O[C@@H](Oc2ccc(-c3n[nH]cc3-c3ccc4c(c3)OCCO4)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O |
|
GD111377 | 3.25 | 624.78 | C35H48O8N2 | C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(/C=N/Cc4ccccn4)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@@H](O)[C@@H]1O |