TPCN00334

Name 9-Epi-paeonidanin
Molecular Formula C24H30O11
Molecular Weight 494.49
CAS Registry Number 91411-77-7
SMILES COC1OC2(C)CC(=O)C3CC2(OC2OC(CO)C(O)C(O)C2O)C13COC(=O)c1ccccc1
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Paeoniaceae Paeonia hybrida Roots 0.000500% Phytochemistry, 2008, 69, 1767-1772. 10.1016/j.phytochem.2008.02.016
Properties
HBA 11 HBD 4
HeavyAtoms 35 AlogP -0.86
TPSA 161.21 RotatableBonds 7
FractionCSP3 0.67 Rings 6
AromaticRings 1 AliphaticRings 5