natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD001746 | -0.54 | 724.62 | C32H36O19 | COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](C)[C@H](OC(C)=O)[C@H](O)[C@H]4OC(C)=O)[C@H](O)[C@H](O)[C@H]3O)c(=O)c2c1O |
|
GD001759 | 0.48 | 754.87 | C38H58O15 | CO[C@H]1[C@H](O)[C@@H](O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)[C@H](OC(C)=O)C[C@@]43O)C2)O[C@@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
|
GD001785 | -1.0 | 270.28 | C13H18O6 | OC[C@@H]1O[C@H](OCc2ccccc2)[C@H](O)[C@H](O)[C@H]1O |
|
GD001786 | -1.13 | 256.25 | C12H16O6 | OC[C@@H]1O[C@H](Oc2ccccc2)[C@H](O)[C@H](O)[C@H]1O |
|
GD001788 | 3.69 | 662.86 | C37H58O10 | CC(=O)O[C@@H]1[C@@H]2C[C@H](C)[C@@H]3[C@](O2)(OC1(C)C)[C@H](O)[C@]1(C)[C@@H]2CC[C@@H]4C(C)(C)[C@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)CC[C@]45C[C@@]25CC[C@]31C |
|
GD001790 | -2.28 | 196.22 | C6H12O5S | OCC1O[C@H](S)C(O)C(O)C1O |
|
GD001791 | 0.37 | 544.51 | C27H28O12 | COC1C(O[C@@H]2c3c(cc4c(c3O)C(=O)c3c(O)cccc3C4=O)C(=O)[C@@](C)(O)[C@H]2OC)OC(C)C(O)C1O |
|
GD001796 | -2.89 | 740.66 | C33H40O19 | C[C@@H]1O[C@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@H](CO[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O |
|
GD001799 | 0.65 | 530.57 | C27H34O9N2 | C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)N2CCc3c([nH]c4ccccc34)[C@H]2C[C@H]1C(=CO)C(=O)OC |
|
GD001811 | -0.06 | 506.5 | C25H30O11 | C[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 |