TPCN00633
![[object Object]](../../static/browser_molecular_png/TPCN00633.png)
| Name | 4-Omethybenzoylpaeoniflorin |
| Molecular Formula | C31H34O12 |
| Molecular Weight | 598.60 |
| CAS Registry Number | 1179527-84-4 |
| SMILES | COC12CC3(C)OC(O1)C1(COC(=O)c4ccccc4)C2CC31OC1OC(COC(=O)c2ccccc2)C(O)C(O)C1O |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Paeoniaceae | Paeonia suffruticosa | Barks | 0.000078% | Chem Pharm Bull (Tokyo), 2003, 51, 58-61. | 10.1021/np400571x |
Properties
| HBA | 12 | HBD | 3 |
| HeavyAtoms | 43 | AlogP | 1.16 |
| TPSA | 159.44 | RotatableBonds | 9 |
| FractionCSP3 | 0.55 | Rings | 9 |
| AromaticRings | 2 | AliphaticRings | 7 |