TPCN00522

Name Paeoniflorin A
Molecular Formula C11H14O4
Molecular Weight 210.23
CAS Registry Number 1476061-93-4
SMILES COC(=O)C(C)c1cc(O)c(C)cc1O
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Paeoniaceae Paeonia suffruticosa Roots 0.000171% Fitoterapia, 2012, 83, 1598-1609. 10.1016/j.fitote.2012.09.008
Properties
HBA 4 HBD 2
HeavyAtoms 15 AlogP 1.68
TPSA 66.76 RotatableBonds 2
FractionCSP3 0.36 Rings 1
AromaticRings 1 AliphaticRings 0