TPCN03622
![[object Object]](../../static/browser_molecular_png/TPCN03622.png)
| Name | Besculiosides Ib |
| Molecular Formula | C47H76O22 |
| Molecular Weight | 993.10 |
| CAS Registry Number | 886840-34-2 |
| SMILES | CC1(C)CC2C3=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)C5CCC4(C)C3(C)C(O)C(O)C2(CO)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Biebersteiniaceae | Aesculus pavia | Fruits | 0.001657% | Phytochemistry 67, 784-794 (2006). | 10.1016/j.phytochem.2006.01.017 |
Properties
| HBA | 22 | HBD | 15 |
| HeavyAtoms | 69 | AlogP | -3.80 |
| TPSA | 375.90 | RotatableBonds | 11 |
| FractionCSP3 | 0.94 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |