natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD108769 | 1.47 | 536.51 | C24H24O12S | CC(=O)OC[C@H]1O[C@@H](SC2=CC(=O)c3cccc(O)c3C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD108770 | 1.05 | 504.44 | C24H24O12 | CC(=O)OC[C@H]1O[C@@H](OC2=CC(=O)c3ccccc3C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD108771 | 1.64 | 577.72 | C31H47O9N | C[C@H]1O[C@@H](O[C@H]2CC[C@]3(/C=N/CCO)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@H](O)[C@@H]1O |
|
GD108772 | 1.64 | 577.72 | C31H47O9N | C[C@H]1O[C@@H](O[C@@H]2CC[C@]3(/C=N/CCO)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@H](O)[C@@H]1O |
|
GD108773 | 1.86 | 550.54 | C25H26O12S | CC(=O)OC[C@H]1O[C@@H](SC2=C(C)C(=O)c3c(O)cccc3C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD108774 | 1.78 | 534.65 | C29H42O9 | C[C@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@H](O)[C@@H]1O |
|
GD108796 | 1.3 | 570.68 | C29H46O11 | C=C1[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C\COC(=O)CC(=O)O |
|
GD108797 | 1.3 | 570.68 | C29H46O11 | C=C1[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@H]1CC/C(C)=C\COC(=O)CC(=O)O |
|
GD108798 | 1.3 | 570.68 | C29H46O11 | C=C1[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C[C@@H]2C(C)(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C\COC(=O)CC(=O)O |
|
GD108799 | 1.3 | 570.68 | C29H46O11 | C=C1[C@@H](O[C@H]2O[C@@H](COC(=O)CC(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)C[C@@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@@H]1CC/C(C)=C\CO |