TPCN03550
![[object Object]](../../static/browser_molecular_png/TPCN03550.png)
| Name | Aesculiosides ??a |
| Molecular Formula | C52H82O22 |
| Molecular Weight | 1059.21 |
| CAS Registry Number | 886840-38-6 |
| SMILES | CC=C(C)C(=O)OC1C(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 |
|---|---|---|---|---|---|
| Biebersteiniaceae | Aesculus pavia | Fruits | 0.002800% | Phytochemistry 67, 784-794 (2006). | 10.1016/j.phytochem.2006.01.017 |
Properties
| HBA | 22 | HBD | 13 |
| HeavyAtoms | 74 | AlogP | -1.25 |
| TPSA | 361.74 | RotatableBonds | 12 |
| FractionCSP3 | 0.88 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |