natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD110035 | 2.69 | 626.57 | C31H30O14 | CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110039 | 2.56 | 647.61 | C29H29O14NS | CCOC(=O)c1oc2cc(O[C@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)ccc2c(=O)c1-c1cscn1 |
|
GD110040 | 2.9 | 740.67 | C36H36O17 | CC(=O)Cc1cc(O[C@@H]2O[C@@H]([C@@H](COC(C)=O)OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc2oc(-c3ccc(OC(C)=O)c(OC(C)=O)c3)cc(=O)c12 |
|
GD110041 | 2.9 | 740.67 | C36H36O17 | CC(=O)Cc1cc(O[C@@H]2O[C@@H]([C@H](COC(C)=O)OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc2oc(-c3ccc(OC(C)=O)c(OC(C)=O)c3)cc(=O)c12 |
|
GD110042 | 2.7 | 742.64 | C35H34O18 | CC(=O)OC[C@H]1O[C@@H](Oc2cc(OC(C)=O)c3c(=O)cc(-c4ccc(OC(C)=O)c(OC(C)=O)c4)oc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110043 | 2.7 | 742.64 | C35H34O18 | CC(=O)OC[C@H]1O[C@@H](Oc2cc(OC(C)=O)c3c(=O)c(-c4ccc(OC(C)=O)c(OC(C)=O)c4)coc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110044 | 2.77 | 684.6 | C33H32O16 | CC(=O)OC[C@@H]1O[C@H](Oc2ccc(-c3coc4cc(OC(C)=O)cc(OC(C)=O)c4c3=O)cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O |
|
GD110045 | 2.83 | 720.81 | C37H52O14 | CC(=O)O[C@H]1[C@H](C)O[C@H](O[C@H]2CC[C@]3(C)[C@H]4[C@H](OC(C)=O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110046 | 2.83 | 720.81 | C37H52O14 | CC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4[C@H](OC(C)=O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD110049 | 2.79 | 580.97 | C28H29O12Cl | CC(=O)OC[C@H]1O[C@@H](Oc2cc3oc(=O)c4c(c3cc2Cl)CCCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |