TPCN03587
![[object Object]](../../static/browser_molecular_png/TPCN03587.png)
| Name | Aesculioside Iieg |
| Molecular Formula | C54H84O23 |
| Molecular Weight | 1101.24 |
| CAS Registry Number | 948908-42-7 |
| SMILES | CC=C(C)C(=O)OC1C(OC(C)=O)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)(C)C4CCC3(C)C1(C)C(O)C2O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Sapindaceae | Aesculus pavia | Fruits | 0.002156% | Phytochemistry 68, 2075-2086 (2007). | 10.1016/j.phytochem.2007.05.020 |
Properties
| HBA | 23 | HBD | 12 |
| HeavyAtoms | 77 | AlogP | -0.68 |
| TPSA | 367.81 | RotatableBonds | 13 |
| FractionCSP3 | 0.87 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |