TPCN03934
![[object Object]](../../static/browser_molecular_png/TPCN03934.png)
| Name | Ilexpublesnins I |
| Molecular Formula | C41H66O16S |
| Molecular Weight | 847.03 |
| CAS Registry Number | 1464719-51-4 |
| SMILES | CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OS(=O)(=O)O)C(C)(C)C5CCC43C)C2C1(C)O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Aquifoliaceae | Ilex pubescens | Roots | 0.000278% | Planta Med 79, 70-77 (2013). | 10.1055/s-0032-1327927 |
Properties
| HBA | 16 | HBD | 8 |
| HeavyAtoms | 58 | AlogP | 1.75 |
| TPSA | 259.20 | RotatableBonds | 7 |
| FractionCSP3 | 0.93 | Rings | 7 |
| AromaticRings | 0 | AliphaticRings | 7 |