TPCN04879
![[object Object]](../../static/browser_molecular_png/TPCN04879.png)
| Name | Xanifolia-Y3 |
| Molecular Formula | C57H88O23 |
| Molecular Weight | 1141.31 |
| CAS Registry Number | 850629-84-4 |
| SMILES | CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(OC5OC(C(=O)O)C(O)C(OC6OC(CO)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC3(C)C1(C)C(O)C2O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Sapindaceae | Xanthoceras sorbifolia | Hooks | 0.013500% | J Nat Prod 71, 1247-1250 (2008). | 10.1021/np070577v |
Properties
| HBA | 23 | HBD | 12 |
| HeavyAtoms | 80 | AlogP | 0.26 |
| TPSA | 367.81 | RotatableBonds | 14 |
| FractionCSP3 | 0.84 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |