TPCN04836
![[object Object]](../../static/browser_molecular_png/TPCN04836.png)
| Name | Compound ??1?? |
| Molecular Formula | C46H74O17 |
| Molecular Weight | 899.08 |
| CAS Registry Number | 2098161-95-4 |
| SMILES | CC1(C)CCC2(C(=O)OC3OCC(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Fabaceae | Caesalpinia pulcherrima | Barks | 0.043750% | Nat Prod Res 32, 499-507 (2018) | 10.1080/14786419.2017.1317772 |
Properties
| HBA | 17 | HBD | 10 |
| HeavyAtoms | 63 | AlogP | 0.39 |
| TPSA | 274.75 | RotatableBonds | 8 |
| FractionCSP3 | 0.93 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |