TPCN04113
![[object Object]](../../static/browser_molecular_png/TPCN04113.png)
| Name | Ilexpublesnins M |
| Molecular Formula | C36H54O11 |
| Molecular Weight | 662.82 |
| CAS Registry Number | 1465771-01-0 |
| SMILES | CC1(C)CCC2(C(=O)O)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 | 0.000056% | Planta Med 79, 70-77 (2013). | 10.1055/s-0032-1327927 |
Properties
| HBA | 11 | HBD | 6 |
| HeavyAtoms | 47 | AlogP | 3.30 |
| TPSA | 191.05 | RotatableBonds | 5 |
| FractionCSP3 | 0.86 | Rings | 6 |
| AromaticRings | 0 | AliphaticRings | 6 |