natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD034915 | 3.4 | 764.95 | C41H64O13 | CO[C@@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3CC[C@]4(C)C(=CC[C@]5(O)[C@H]4C[C@H](OC(=O)C=C(C)C(C)C)[C@]4(C)[C@](O)(C(C)=O)CC[C@]54O)C3)C[C@H]2O)O[C@H](C)[C@H]1O |
|
GD034916 | 4.17 | 798.97 | C44H62O13 | CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C)C(=CC[C@]4(O)[C@H]3C[C@H](OC(=O)C=Cc3ccccc3)[C@]3(C)[C@](O)(C(C)=O)CC[C@]43O)C2)O[C@@H](C)[C@@H]1O[C@H]1C[C@@H](OC)[C@H](O)[C@@H](C)O1 |
|
GD034931 | 0.53 | 474.42 | C23H22O11 | COC(=O)[C@@H]1O[C@H](Oc2cc(O)c3c(=O)cc(-c4ccc(OC)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O |
|
GD034950 | 0.14 | 446.36 | C21H18O11 | O=C(O)[C@@H]1O[C@H](Oc2ccc(-c3coc4cc(O)cc(O)c4c3=O)cc2)[C@H](O)[C@H](O)[C@H]1O |
|
GD034951 | -2.02 | 654.57 | C29H34O17 | C[C@@H]1O[C@H](OC[C@@H]2O[C@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(OCCO)cc(O)c4c3=O)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O |
|
GD034958 | -1.16 | 610.57 | C28H34O15 | COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4OC(CO[C@@H]5OC(C)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)cc3O2)cc1O |
|
GD034969 | 0.99 | 520.53 | C26H32O11 | COc1ccc(C=CC(=O)OC[C@@H]2O[C@H](OCC=C3C[C@H](C=C(C)C)OC3=O)[C@H](O)[C@H](O)[C@H]2O)cc1O |
|
GD034970 | -1.09 | 522.5 | C25H30O12 | OC[C@@H]1O[C@H](O[C@@H]2[C@H](Oc3cc(O)cc(C=Cc4ccc(O)cc4)c3)OC[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O |
|
GD034975 | 3.08 | 368.51 | C21H36O5 | CC(C)=CCC[C@@](C)(O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)[C@@H]1CC=C(C)CC1 |
|
GD034977 | 0.75 | 572.61 | C30H36O11 | CC1=CC(=O)C2=C(C)C[C@H](OC(=O)CCc3ccc(OC4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3)[C@@H]3[C@H](C)C(=O)O[C@H]3[C@H]12 |