natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD110016 | 2.93 | 592.98 | C29H29O12Cl | CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(Cl)cc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110017 | 3.0 | 603.6 | C28H29O12NS | CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4csc(C)n4)c(C)oc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110018 | 3.0 | 603.6 | C28H29O12NS | CC(=O)OC[C@H]1O[C@H](Oc2ccc3c(=O)c(-c4csc(C)n4)c(C)oc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110019 | 2.69 | 589.58 | C27H27O12NS | CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4cscn4)c(C)oc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110026 | 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 |
|
GD110027 | 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 |
|
GD110028 | 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 |
|
GD110029 | 2.52 | 548.54 | C27H32O12 | CCCc1cc(=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 |
|
GD110030 | 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 |
|
GD110034 | 2.86 | 656.59 | C32H32O15 | COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)cc(OC(C)=O)c3c2=O)cc1 |