natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD109181 | 2.13 | 534.51 | C26H30O12 | CCc1cc(=O)oc2cc(C)cc(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c12 |
|
GD109182 | 2.13 | 534.51 | C26H30O12 | CCc1cc(=O)oc2c(C)c(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)ccc12 |
|
GD109183 | 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 |
|
GD109184 | 2.44 | 560.55 | C28H32O12 | CC(=O)OC[C@H]1O[C@@H](Oc2cc(C)cc3oc(=O)c4c(c23)CCCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD109186 | 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 |
|
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 |
|
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 |
|
GD109220 | 2.43 | 548.67 | C30H44O9 | CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O |
|
GD109245 | 2.06 | 572.56 | C29H32O12 | C[C@]1(Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)c(C(=O)O)oc3c2)O[C@](C)(CO)[C@](C)(O)[C@](C)(O)[C@@]1(C)O |
|
GD109246 | 2.06 | 572.56 | C29H32O12 | C[C@]1(O)[C@](C)(O)[C@@](C)(O)[C@@](C)(Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)c(C(=O)O)oc3c2)O[C@]1(C)CO |