synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD106972 | 0.47 | 619.66 | C28H45O14N | CCCCCO[C@H]1[C@@H]([C@@H](O)CO[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2NC(C)=O)O[C@@H]2OC(C)(C)O[C@H]12 |
|
GD106970 | 0.33 | 619.66 | C28H45O14N | CC(=O)N[C@H]1[C@H](OC[C@@H](O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OCCC(C)C)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD106971 | 0.33 | 619.66 | C28H45O14N | CC(=O)N[C@H]1[C@H](OC[C@H](O)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OCCC(C)C)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110430 | -0.32 | 656.77 | C35H48O10N2 | CC1CC[NH+](Cc2c(O)c(C[NH+]3CCC(C)CC3)c3occ(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4)c(=O)c3c2O)CC1 |
|
GD110412 | -0.04 | 656.77 | C35H48O10N2 | C[C@H]1CCCC[N@@H+]1Cc1c(O)c(C[N@@H+]2CCCC[C@H]2C)c(O)c2c(=O)c(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)coc12 |
|
GD110411 | -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 |
|
GD111712 | 3.68 | 647.43 | C29H27O12Br | CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc(Br)cc4)coc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD111246 | 3.04 | 637.43 | C28H29O12Br | CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(Br)cc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110857 | 3.04 | 637.43 | C28H29O12Br | CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(Br)cc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD111247 | 3.04 | 637.43 | C28H29O12Br | CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(Br)cc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |