TPCN04101
![[object Object]](../../static/browser_molecular_png/TPCN04101.png)
| Name | Ilexpublesnins K |
| Molecular Formula | C52H84O22 |
| Molecular Weight | 1061.22 |
| CAS Registry Number | 1464719-53-6 |
| SMILES | CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1(C)O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Aquifoliaceae | Ilex pubescens | Roots | 0.000067% | Planta Med 79, 70-77 (2013). | 10.1055/s-0032-1327927 |
Properties
| HBA | 22 | HBD | 13 |
| HeavyAtoms | 74 | AlogP | -1.79 |
| TPSA | 353.90 | RotatableBonds | 10 |
| FractionCSP3 | 0.94 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |