synthetic glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD109213 | 2.13 | 546.53 | C27H30O12 | CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c4c(c(=O)oc3c2)CCCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD109212 | 2.47 | 554.93 | C26H27O12Cl | CCc1cc(=O)oc2cc(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c(Cl)cc12 |
|
GD110049 | 2.79 | 580.97 | C28H29O12Cl | CC(=O)OC[C@H]1O[C@@H](Oc2cc3oc(=O)c4c(c3cc2Cl)CCCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD110050 | 2.52 | 560.55 | C28H32O12 | CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c4c(c(=O)oc3c2)CCCCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD109214 | 2.44 | 560.55 | C28H32O12 | CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c4c(c(=O)oc3c2C)CCCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110051 | 2.83 | 574.58 | C29H34O12 | CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c4c(c(=O)oc3c2C)CCCCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD045481 | -0.45 | 289.72 | C13H16O5NCl | OC[C@H](O)[C@@H]1O[C@H](Nc2ccc(Cl)cc2)[C@H](O)[C@@H]1O |
|
GD062501 | -2.21 | 363.12 | C10H11O6N4Br | O=c1[nH]c(=O)c2nc(Br)n([C@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2[nH]1 |
|
GD095863 | -0.22 | 461.43 | C21H23O9N3 | CC(=O)OC[C@@H]1O[C@H](n2ncc(=O)n(Cc3ccccc3)c2=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD095862 | -0.22 | 461.43 | C21H23O9N3 | CC(=O)OC[C@@H]1O[C@H](n2ncc(=O)n(Cc3ccccc3)c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |