TPCN03696
![[object Object]](../../static/browser_molecular_png/TPCN03696.png)
| Name | Ilexpublesnins F |
| Molecular Formula | C41H64O12 |
| Molecular Weight | 748.95 |
| CAS Registry Number | 1464719-48-9 |
| SMILES | CC1=C2C3=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CCC1C |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Aquifoliaceae | Ilex pubescens | Roots | 0.001111% | Planta Med 79, 70-77 (2013). | 10.1055/s-0032-1327927 |
Properties
| HBA | 12 | HBD | 7 |
| HeavyAtoms | 53 | AlogP | 3.44 |
| TPSA | 195.60 | RotatableBonds | 6 |
| FractionCSP3 | 0.88 | Rings | 7 |
| AromaticRings | 0 | AliphaticRings | 7 |