TPCN00533
![[object Object]](../../static/browser_molecular_png/TPCN00533.png)
| Name | Paeonins B |
| Molecular Formula | C16H22O9 |
| Molecular Weight | 358.34 |
| CAS Registry Number | 1155280-58-2 |
| SMILES | CC1=CC(=O)C2CC1(OC1OC(CO)C(O)C(O)C1O)OC=C2CO |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Paeoniaceae | Paeonia lactiflora | Roots | 0.000160% | J Nat Prod, 2009, 72, 1321-1324. | 10.1021/np8001783 |
Properties
| HBA | 9 | HBD | 5 |
| HeavyAtoms | 25 | AlogP | -2.06 |
| TPSA | 145.91 | RotatableBonds | 4 |
| FractionCSP3 | 0.69 | Rings | 3 |
| AromaticRings | 0 | AliphaticRings | 3 |