TPCN04126
![[object Object]](../../static/browser_molecular_png/TPCN04126.png)
| Name | Ilexpublesnins J |
| Molecular Formula | C53H86O23 |
| Molecular Weight | 1091.25 |
| CAS Registry Number | 1464719-52-5 |
| 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)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1(C)O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Aquifoliaceae | Ilex pubescens | Roots | 0.000050% | Planta Med 79, 70-77 (2013). | 10.1055/s-0032-1327927 |
Properties
| HBA | 23 | HBD | 14 |
| HeavyAtoms | 76 | AlogP | -2.43 |
| TPSA | 374.13 | RotatableBonds | 11 |
| FractionCSP3 | 0.94 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |