natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD108989 | 2.39 | 670.58 | C32H30O16 | CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)c(C(=O)O)oc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD108990 | 2.39 | 670.58 | C32H30O16 | CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)c(C(=O)O)oc3c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD109005 | 2.15 | 520.58 | C27H36O10 | CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C(=O)O[C@H]3O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)=C[C@@H]21 |
|
GD109016 | 2.07 | 614.51 | C29H26O15 | CC(=O)Oc1c(O[C@H]2O[C@@H](C(=O)O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc2oc(-c3ccccc3)cc(=O)c2c1O |
|
GD109038 | 2.25 | 592.53 | C28H29O13F | CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)COc3ccc(F)cc3)c(O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD109039 | 2.44 | 630.6 | C31H34O14 | CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc4c(c3)OCCCO4)c(O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD109041 | 2.28 | 558.54 | C28H30O12 | CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccccc3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD109046 | 2.28 | 558.54 | C28H30O12 | CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccccc3)c(O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD109049 | 2.42 | 576.53 | C28H29O12F | CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(F)cc3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD109050 | 2.28 | 558.54 | C28H30O12 | CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccccc3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |