TPCN03681
![[object Object]](../../static/browser_molecular_png/TPCN03681.png)
| Name | Cesculiosides Ivc |
| Molecular Formula | C57H90O22 |
| Molecular Weight | 1127.33 |
| CAS Registry Number | 886840-44-4 |
| SMILES | CC=C(C)C(=O)OC1C(OC(=O)C(C)CC)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)(C)C5CCC43C)C2CC1(C)C |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Biebersteiniaceae | Aesculus pavia | Fruits | 0.001200% | Phytochemistry 67, 784-794 (2006). | 10.1016/j.phytochem.2006.01.017 |
Properties
| HBA | 22 | HBD | 11 |
| HeavyAtoms | 79 | AlogP | 1.37 |
| TPSA | 347.58 | RotatableBonds | 15 |
| FractionCSP3 | 0.88 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |