TPCN00226
![[object Object]](../../static/browser_molecular_png/TPCN00226.png)
| Name | 6'-O-benzoyl-4''-hydroxy-3''-methoxy-paeoniflorin |
| Molecular Formula | C31H34O14 |
| Molecular Weight | 630.60 |
| CAS Registry Number | 476487-56-6 |
| SMILES | COc1cc(C(=O)OCC23C4OC5(O)CC(C)(O4)C2(OC2OC(COC(=O)c4ccccc4)C(O)C(O)C2O)CC53)ccc1O |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Paeoniaceae | Paeonia delavayi | Roots | 0.001120% | J Asian Nat Prod Res, 2002, 4, 135-140. | 10.1080/10286020290027425 |
Properties
| HBA | 14 | HBD | 5 |
| HeavyAtoms | 45 | AlogP | 0.22 |
| TPSA | 199.90 | RotatableBonds | 9 |
| FractionCSP3 | 0.55 | Rings | 9 |
| AromaticRings | 2 | AliphaticRings | 7 |