TPCN00316
![[object Object]](../../static/browser_molecular_png/TPCN00316.png)
| Name | 3',6'-Di-O-galloylpaeoniflorin |
| Molecular Formula | C37H36O19 |
| Molecular Weight | 784.68 |
| CAS Registry Number | 262350-53-8 |
| SMILES | CC12CC3(O)OC(O1)C1(COC(=O)c4ccccc4)C3CC21OC1OC(COC(=O)c2cc(O)c(O)c(O)c2)C(O)C(OC(=O)c2cc(O)c(O)c(O)c2)C1O |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Paeoniaceae | Paeonia obovata | Roots | 0.000545% | Chem Pharm Bull (Tokyo), 2000, 48, 201-207. | 10.1248/cpb.48.201 |
Properties
| HBA | 19 | HBD | 9 |
| HeavyAtoms | 56 | AlogP | 0.61 |
| TPSA | 297.89 | RotatableBonds | 10 |
| FractionCSP3 | 0.43 | Rings | 10 |
| AromaticRings | 3 | AliphaticRings | 7 |