TPCN00250
![[object Object]](../../static/browser_molecular_png/TPCN00250.png)
| Name | Paeonidanin I |
| Molecular Formula | C31H34O15 |
| Molecular Weight | 646.60 |
| CAS Registry Number | 2209890-50-4 |
| SMILES | COC1OC2(C)CC(=O)C3CC2(OC2OC(CO)C(O)C(OC(=O)c4cc(O)c(O)c(O)c4)C2O)C13COC(=O)c1ccccc1 |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Paeoniaceae | Paeonia veitchii | Roots | 0.000929% | J Asian Nat Prod Res, 2017, 19, 22-27. | 10.1080/10286020.2016.1194832 |
Properties
| HBA | 15 | HBD | 6 |
| HeavyAtoms | 46 | AlogP | 0.12 |
| TPSA | 227.97 | RotatableBonds | 9 |
| FractionCSP3 | 0.52 | Rings | 7 |
| AromaticRings | 2 | AliphaticRings | 5 |