natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD029602 | 1.69 | 764.91 | C40H60O14 | CC(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC=C4[C@H](C[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)C4(C)C)[C@@]3(C)C(=O)C[C@@]2(C)[C@H]1C(C)(O)C(=O)C=CC(C)(C)OC(C)=O |
|
GD029606 | -0.58 | 380.31 | C17H16O10 | O=c1ccc2c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c3ccoc3c(O)c2o1 |
|
GD029607 | -1.98 | 696.7 | C33H44O16 | CCC(C)=CC(=O)O[C@@H]1C(=O)O[C@@H]2C[C@@H]3[C@H](C)C(=O)C(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)=C[C@@]3(C)[C@@H]3[C@H](O)[C@H](O)[C@]4(C(=O)OC)OC[C@]32[C@H]14 |
|
GD029611 | 0.67 | 550.56 | C27H34O12 | COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O |
|
GD029622 | -2.04 | 430.19 | C10H14O10N5PS | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O[35S](=O)(=O)O)[C@H](O)[C@H]1O |
|
GD029629 | -0.68 | 536.49 | C25H28O13 | COC(=O)[C@H](Cc1ccc(O)c(O)c1)OC(=O)C=Cc1ccc(O)c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1 |
|
GD029633 | -0.37 | 536.53 | C26H32O12 | COc1cc(C[C@@H]2COC(=O)[C@]2(Cc2ccc(O)c(OC)c2)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O |
|
GD029638 | -0.8 | 256.21 | C11H12O7 | O=C(O)[C@H](O)[C@](O)(Cc1ccc(O)cc1)C(=O)O |
|
GD029643 | 0.5 | 311.36 | C14H17O5NS | C[C@@H]1O[C@H](Oc2ccc(CN=C=S)cc2)[C@H](O)[C@H](O)[C@H]1O |
|
GD029669 | 1.79 | 468.46 | C25H24O9 | COC(=O)[C@@H]1O[C@H](Oc2c(-c3ccccc3)cc(O)c(-c3ccccc3)c2O)[C@H](O)[C@H](O)[C@H]1O |