TPCN05495
![[object Object]](../../static/browser_molecular_png/TPCN05495.png)
| Name | Polygalasaponin XLIX |
| Molecular Formula | C64H102O34 |
| Molecular Weight | 1415.49 |
| CAS Registry Number | 1033593-12-2 |
| SMILES | CC1OC(OC2C(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)OC(CO)C(O)C2O)C(O)C(O)C1OC1OCC(OC2OCC(O)(COC3OC(CO)C(O)C(O)C3O)C2O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Polygalaceae | Polygala japonica | Roots | 0.000440% | Phytochemistry. 2008. 69, 1617-1624. | 10.1016/j.phytochem.2008.01.010 |
Properties
| HBA | 34 | HBD | 20 |
| HeavyAtoms | 98 | AlogP | -7.07 |
| TPSA | 549.50 | RotatableBonds | 18 |
| FractionCSP3 | 0.94 | Rings | 11 |
| AromaticRings | 0 | AliphaticRings | 11 |