natural glycosides
| Molecular_Structure | GD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
GD109507 | 2.44 | 630.6 | C31H34O14 | CC(=O)OC[C@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc4c(c3)OCCCO4)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD109508 | 2.12 | 604.56 | C29H32O14 | COc1ccc(OCC(=O)c2ccc(O[C@@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)cc2O)cc1 |
|
GD109509 | 2.28 | 558.54 | C28H30O12 | CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD109510 | 2.28 | 558.54 | C28H30O12 | CC(=O)OC[C@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |
|
GD109511 | 2.23 | 550.69 | C30H46O9 | CO[C@H]1C[C@@H](O[C@H]2CC[C@]3(CO)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O |
|
GD109512 | 2.47 | 554.93 | C26H27O12Cl | CCc1cc(=O)oc2cc(O[C@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c(Cl)cc12 |
|
GD109517 | 2.34 | 650.81 | C35H54O11 | C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@]4(C)[C@H]5C[C@@H](O)[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]6(O)[C@@H]5CC[C@@H]4C3)O[C@@H]2C)C[C@H](O)[C@@H]1O |
|
GD109518 | 2.08 | 550.69 | C30H46O9 | CO[C@@H]1[C@H](O)[C@H](C)O[C@@H](O[C@H]2C[C@@H](O)[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@@H]3C2)[C@@H]1O |
|
GD109519 | 2.08 | 550.69 | C30H46O9 | CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)[C@H](O)C[C@]5(O)[C@@H]4CC[C@@H]3C2)[C@@H]1O |
|
GD109520 | 2.3 | 514.66 | C27H46O9 | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O |