TPCN00037
![[object Object]](../../static/browser_molecular_png/TPCN00037.png)
| Name | Paeonidanin K |
| Molecular Formula | C46H54O21 |
| Molecular Weight | 942.92 |
| CAS Registry Number | 2209890-52-6 |
| SMILES | CC12CC(=O)C3CC1(OC1OC(COC(=O)c4ccccc4)C(O)C(O)C1O)C3(COC(=O)c1ccccc1)C(OCC1OC(OC34CC5C6(O)CC3(C)OC(O6)C54CO)C(O)C(O)C1O)O2 |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Paeoniaceae | Paeonia veitchii | Roots | 0.033333% | J Asian Nat Prod Res, 2017, 19, 22-27. | 10.1080/10286020.2016.1194832 |
Properties
| HBA | 21 | HBD | 8 |
| HeavyAtoms | 67 | AlogP | -1.83 |
| TPSA | 305.35 | RotatableBonds | 14 |
| FractionCSP3 | 0.67 | Rings | 14 |
| AromaticRings | 2 | AliphaticRings | 12 |