TPCN03544
![[object Object]](../../static/browser_molecular_png/TPCN03544.png)
| Name | Besculiosides ??b |
| Molecular Formula | C52H82O22 |
| Molecular Weight | 1059.21 |
| CAS Registry Number | 886840-39-7 |
| SMILES | CC=C(C)C(=O)OC1C(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)(CO)C5CCC43C)C2CC1(C)C |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Biebersteiniaceae | Aesculus pavia | Fruits | 0.002857% | 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 | 13 |
| FractionCSP3 | 0.88 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |