TPCN00447
![[object Object]](../../static/browser_molecular_png/TPCN00447.png)
| Name | Paeoniflorin B |
| Molecular Formula | C36H42O17 |
| Molecular Weight | 746.72 |
| CAS Registry Number | 1415091-25-6 |
| SMILES | CC12CC3(O)OC(O1)C1(COC(=O)c4ccccc4)C3CC21OC1OC(COC(=O)c2ccccc2)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Paeoniaceae | Paeonia suffruticosa | Barks | 0.000275% | Chem Pharm Bull (Tokyo), 2003, 51, 58-61. | 10.1021/np400571x |
Properties
| HBA | 17 | HBD | 7 |
| HeavyAtoms | 53 | AlogP | -1.67 |
| TPSA | 249.59 | RotatableBonds | 11 |
| FractionCSP3 | 0.61 | Rings | 10 |
| AromaticRings | 2 | AliphaticRings | 8 |