TPCN03606
![[object Object]](../../static/browser_molecular_png/TPCN03606.png)
| Name | Aesculiosides C4 |
| Molecular Formula | C55H86O22 |
| Molecular Weight | 1099.27 |
| CAS Registry Number | 1439388-69-8 |
| SMILES | CC=C(C)C(=O)OC1C(OC(C)=O)C2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(C)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2CC1(C)C |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Biebersteiniaceae | Aesculus californica | Husks | 0.001897% | Phytochemistry 90, 95-105 (2013). | 10.1016/j.phytochem.2013.02.003 |
Properties
| HBA | 22 | HBD | 11 |
| HeavyAtoms | 77 | AlogP | 0.74 |
| TPSA | 347.58 | RotatableBonds | 13 |
| FractionCSP3 | 0.87 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |