TPCN03731
![[object Object]](../../static/browser_molecular_png/TPCN03731.png)
| Name | Aesculiosides C12 |
| Molecular Formula | C66H104O25 |
| Molecular Weight | 1297.53 |
| CAS Registry Number | 1439388-84-7 |
| SMILES | CC=C(C)C(=O)OC1C(C)OC(OC2C(OC(C)=O)C3(CO)CCC4(C)C(=CCC5C6(C)CCC(OC7OC(CO)C(O)C(OC8OC(C)C(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC54C)C3CC2(C)C)C(O)C1OC(=O)C(C)=CC |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Biebersteiniaceae | Aesculus californica | Husks | 0.000948% | Phytochemistry 90, 95-105 (2013). | 10.1016/j.phytochem.2013.02.003 |
Properties
| HBA | 25 | HBD | 11 |
| HeavyAtoms | 91 | AlogP | 2.04 |
| TPSA | 375.27 | RotatableBonds | 16 |
| FractionCSP3 | 0.86 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |