TPCN06224
![[object Object]](../../static/browser_molecular_png/TPCN06224.png)
| Name | 27-O-protocatechuoyl-3-dehydroxyisoceanothanolic acid |
| Molecular Formula | C37H52O7 |
| Molecular Weight | 608.82 |
| CAS Registry Number | 2126776-29-0 |
| SMILES | C=C(C)C1CCC2(C(=O)O)CCC3(COC(=O)c4ccc(O)c(O)c4)C(CCC4C5(C)C(CO)CC(C)(C)C5CCC43C)C12 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Rhamnaceae | Hovenia dulcis | Roots | 0.000181% | Phytochemistry . 2017 Oct;142:60-67 | 10.1016/j.phytochem.2017.06.014 |
Properties
| HBA | 7 | HBD | 4 |
| HeavyAtoms | 44 | AlogP | 7.20 |
| TPSA | 124.29 | RotatableBonds | 6 |
| FractionCSP3 | 0.73 | Rings | 6 |
| AromaticRings | 1 | AliphaticRings | 5 |