TPCN04221
![[object Object]](../../static/browser_molecular_png/TPCN04221.png)
| Name | Apoanagallosaponin IV |
| Molecular Formula | C54H88O23 |
| Molecular Weight | 1105.28 |
| CAS Registry Number | 160700-41-4 |
| SMILES | CC(=O)OC1CC2(C)C(C=CC3C4(C)CCC(OC5OCC(OC6OC(CO)C(O)C(O)C6OC6OCC(O)C(O)C6O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC32C)C2CC(C)(C)CC(O)C12CO |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caryophyllaceae | Polycarpaea corymbosa | Leaves | 0.007000% | Phytochemistry 100: 150-155. | 10.1016/j.phytochem.2013.12.005 |
Properties
| HBA | 23 | HBD | 13 |
| HeavyAtoms | 77 | AlogP | -1.92 |
| TPSA | 363.13 | RotatableBonds | 12 |
| FractionCSP3 | 0.94 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |