TPCN04041
![[object Object]](../../static/browser_molecular_png/TPCN04041.png)
| Name | Ilexpublesnin B |
| Molecular Formula | C42H66O15 |
| Molecular Weight | 810.98 |
| CAS Registry Number | 1309354-78-6 |
| SMILES | CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1(C)O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Aquifoliaceae | Ilex pubescens | Roots | 0.000120% | Fitoterapia 81, 788-792 (2010). | 10.1016/j.fitote.2010.04.008 |
Properties
| HBA | 15 | HBD | 9 |
| HeavyAtoms | 57 | AlogP | 0.47 |
| TPSA | 253.13 | RotatableBonds | 7 |
| FractionCSP3 | 0.90 | Rings | 7 |
| AromaticRings | 0 | AliphaticRings | 7 |