TPCN04599
![[object Object]](../../static/browser_molecular_png/TPCN04599.png)
| Name | Polygalasaponin LIII |
| Molecular Formula | C81H120O39 |
| Molecular Weight | 1717.81 |
| CAS Registry Number | 1428631-58-6 |
| SMILES | COc1ccc(C=CC(=O)OC2C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(CO)C(O)C(O)C7O)C(C)(C(=O)O)C6CCC5(C)C3(CO)CC4)C(OC3OC(C)C(OC4OCC(O)C(OC5OCC(O)C(O)C5O)C4O)C(OC4OCC(O)(CO)C4O)C3O)C2OC2OC(C)C(OC(C)=O)C(O)C2O)cc1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Polygalaceae | Polygala japonica | Roots | 0.000200% | Fitoterapia 83(7): 1184-1190. | 10.1016/j.fitote.2012.07.002 |
Properties
| HBA | 39 | HBD | 18 |
| HeavyAtoms | 120 | AlogP | -3.71 |
| TPSA | 589.33 | RotatableBonds | 23 |
| FractionCSP3 | 0.83 | Rings | 13 |
| AromaticRings | 1 | AliphaticRings | 12 |