TPCN00140
![[object Object]](../../static/browser_molecular_png/TPCN00140.png)
| Name | 4??-O-vanillylalbiflorin;6??-O-vanillylpaeoniflorin;6'-O-Vanillylpaeoniflorin |
| Molecular Formula | C31H34O14 |
| Molecular Weight | 630.60 |
| CAS Registry Number | 262350-52-7 |
| SMILES | COc1cc(C(=O)OCC2OC(OC34CC5C6(O)CC3(C)OC(O6)C54COC(=O)c3ccccc3)C(O)C(O)C2O)ccc1O |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Paeoniaceae | Paeonia obovata | Roots | 0.002930% | Chem Pharm Bull (Tokyo), 2000, 48, 201-207. | 10.1248/cpb.48.201 |
| Paeoniaceae | Paeonia suffruticosa | Barks | 0.000150% | Chem Pharm Bull (Tokyo), 2003, 51, 58-61. | 10.1021/np400571x |
| Paeoniaceae | Paeoniae radix | Whole plants | 0.000078% | Fitoterapia, 2019, 138, 104290. | 10.1016/j.fitote.2019.104290 |
Properties
| HBA | 14 | HBD | 5 |
| HeavyAtoms | 45 | AlogP | 0.22 |
| TPSA | 199.90 | RotatableBonds | 9 |
| FractionCSP3 | 0.55 | Rings | 9 |
| AromaticRings | 2 | AliphaticRings | 7 |