natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD104759 | 2.3 | 496.64 | C27H44O8 | C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O[C@@H]5O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C |
|
GD104760 | 2.3 | 496.64 | C27H44O8 | C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O[C@@H]5O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C |
|
GD104761 | 2.01 | 468.46 | C25H24O9 | COc1c(-c2ccccc2)cc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccccc2)c1O |
|
GD104766 | 2.12 | 604.56 | C29H32O14 | COc1ccc(OCC(=O)c2ccc(O[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)cc2O)cc1 |
|
GD104767 | 2.12 | 604.56 | C29H32O14 | COc1ccc(OCC(=O)c2ccc(O[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)cc2O)cc1 |
|
GD104768 | 2.12 | 604.56 | C29H32O14 | COc1ccc(OCC(=O)c2ccc(O[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)cc2O)cc1 |
|
GD104780 | 2.04 | 579.58 | C26H29O12NS | CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3csc(C)n3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD104781 | 2.04 | 579.58 | C26H29O12NS | CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3csc(C)n3)c(O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD104782 | 2.04 | 579.58 | C26H29O12NS | CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C(=O)Cc3csc(C)n3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD104783 | 2.3 | 474.46 | C24H26O10 | CC(=O)OC[C@@H]1O[C@@H](Oc2cccc3ccccc23)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |