TPCN03583
![[object Object]](../../static/browser_molecular_png/TPCN03583.png)
| Name | Aesculioside Iiej |
| Molecular Formula | C54H84O22 |
| Molecular Weight | 1085.24 |
| CAS Registry Number | 948908-45-0 |
| SMILES | CC=C(C)C(=O)OC1C(OC(C)=O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OC(CO)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2CC1(C)C |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Sapindaceae | Aesculus pavia | Fruits | 0.002244% | Phytochemistry 68, 2075-2086 (2007). | 10.1016/j.phytochem.2007.05.020 |
Properties
| HBA | 22 | HBD | 11 |
| HeavyAtoms | 76 | AlogP | 0.35 |
| TPSA | 347.58 | RotatableBonds | 13 |
| FractionCSP3 | 0.87 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |