TPCN04962
![[object Object]](../../static/browser_molecular_png/TPCN04962.png)
| Name | Caryocaroside III-9 |
| Molecular Formula | C48H76O21 |
| Molecular Weight | 989.12 |
| CAS Registry Number | 880493-79-8 |
| SMILES | CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(C(=O)O)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(CO)C5CCC43C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caryocaraceae | Caryocar glabrum | Fruits | 0.003361% | J Nat Prod 69, 196-205 (2006) | 10.1021/np050336s |
Properties
| HBA | 21 | HBD | 13 |
| HeavyAtoms | 69 | AlogP | -1.82 |
| TPSA | 352.51 | RotatableBonds | 10 |
| FractionCSP3 | 0.92 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |