TPCN05098
![[object Object]](../../static/browser_molecular_png/TPCN05098.png)
| Name | Esculentoic acid B |
| Molecular Formula | C30H46O3 |
| Molecular Weight | 454.70 |
| CAS Registry Number | 623941-78-6 |
| SMILES | CC1(C(=O)O)CCC2(C)CC=C3C(C)(CCC4C3(C)CCC3C(C)(C)C(=O)CCC34C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Euphorbiaceae | Manihot esculenta | Aerial parts | 0.000480% | Planta Med 69, 271-274 (2003) | 10.1055/s-2003-38488 |
Properties
| HBA | 3 | HBD | 1 |
| HeavyAtoms | 33 | AlogP | 7.44 |
| TPSA | 54.37 | RotatableBonds | 1 |
| FractionCSP3 | 0.87 | Rings | 5 |
| AromaticRings | 0 | AliphaticRings | 5 |