TPCN03863
![[object Object]](../../static/browser_molecular_png/TPCN03863.png)
| Name | Aesculioside??e |
| Molecular Formula | C57H88O24 |
| Molecular Weight | 1157.31 |
| CAS Registry Number | 948908-49-4 |
| 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)(CO)C4CCC3(C)C1(C)C(O)C2O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Sapindaceae | Aesculus pavia | Fruits | 0.000444% | Phytochemistry 68, 2075-2086 (2007). | 10.1016/j.phytochem.2007.05.020 |
Properties
| HBA | 24 | HBD | 13 |
| HeavyAtoms | 81 | AlogP | -0.76 |
| TPSA | 388.04 | RotatableBonds | 15 |
| FractionCSP3 | 0.84 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |