TPCN00557
![[object Object]](../../static/browser_molecular_png/TPCN00557.png)
| Name | (?)-6??-O-[(1R,2S,5R,6S)-10-Hydroxypinan-8-oxo]paeoniflorin |
| Molecular Formula | C33H42O13 |
| Molecular Weight | 646.69 |
| CAS Registry Number | 2231237-26-4 |
| SMILES | CC1(C(=O)OCC2OC(OC34CC5C6(O)CC3(C)OC(O6)C54COC(=O)c3ccccc3)C(O)C(O)C2O)C2CCC(CO)C1C2 |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Paeoniaceae | Paeonia lactiflora | Roots | 0.000140% | J Nat Prod, 2018, 81, 1252-1259. | 10.1021/acs.jnatprod.8b00087 |
Properties
| HBA | 13 | HBD | 5 |
| HeavyAtoms | 46 | AlogP | 0.24 |
| TPSA | 190.67 | RotatableBonds | 9 |
| FractionCSP3 | 0.76 | Rings | 10 |
| AromaticRings | 1 | AliphaticRings | 9 |