TPCN04010
![[object Object]](../../static/browser_molecular_png/TPCN04010.png)
| Name | Ilexpublesnins L |
| Molecular Formula | C42H64O16 |
| Molecular Weight | 824.96 |
| CAS Registry Number | 1464719-54-7 |
| SMILES | CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C=O)C5CCC43C)C2C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Aquifoliaceae | Ilex pubescens | Roots | 0.000156% | Planta Med 79, 70-77 (2013). | 10.1055/s-0032-1327927 |
Properties
| HBA | 16 | HBD | 9 |
| HeavyAtoms | 58 | AlogP | 0.56 |
| TPSA | 270.20 | RotatableBonds | 7 |
| FractionCSP3 | 0.88 | Rings | 7 |
| AromaticRings | 0 | AliphaticRings | 7 |