TPCN06236
![[object Object]](../../static/browser_molecular_png/TPCN06236.png)
| Name | 27-O-p-hydroxybenzoylbetulinic acid |
| Molecular Formula | C37H52O6 |
| Molecular Weight | 592.82 |
| CAS Registry Number | 2126776-33-6 |
| SMILES | C=C(C)C1CCC2(C(=O)O)CCC3(COC(=O)c4ccc(O)cc4)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Rhamnaceae | Hovenia dulcis | Roots | 0.000144% | Phytochemistry . 2017 Oct;142:60-67 | 10.1016/j.phytochem.2017.06.014 |
Properties
| HBA | 6 | HBD | 3 |
| HeavyAtoms | 43 | AlogP | 7.63 |
| TPSA | 104.06 | RotatableBonds | 5 |
| FractionCSP3 | 0.73 | Rings | 6 |
| AromaticRings | 1 | AliphaticRings | 5 |