TPCN00744
![[object Object]](../../static/browser_molecular_png/TPCN00744.png)
| Name | (+)-6??-O-[(2E,6S)-6-Hydroxy-2,6-dimethylocta-2,7-dienoyl]paeoniflorin |
| Molecular Formula | C33H42O13 |
| Molecular Weight | 646.69 |
| CAS Registry Number | 2231237-28-6 |
| SMILES | C=CC(C)(O)CCC=C(C)C(=O)OCC1OC(OC23CC4C5(O)CC2(C)OC(O5)C43COC(=O)c2ccccc2)C(O)C(O)C1O |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Paeoniaceae | Paeonia lactiflora | Roots | 0.000030% | J Nat Prod, 2018, 81, 1252-1259. | 10.1021/acs.jnatprod.8b00087 |
Properties
| HBA | 13 | HBD | 5 |
| HeavyAtoms | 46 | AlogP | 0.86 |
| TPSA | 190.67 | RotatableBonds | 12 |
| FractionCSP3 | 0.64 | Rings | 8 |
| AromaticRings | 1 | AliphaticRings | 7 |