TPCN00274

Name 4-O-methyl-paeoniflorin;4-O-methylpaeoniflorin
Molecular Formula C24H30O11
Molecular Weight 494.49
CAS Registry Number 219562-62-6
SMILES COC12CC3(C)OC(O1)C1(COC(=O)c4ccccc4)C2CC31OC1OC(CO)C(O)C(O)C1O
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Paeoniaceae Paeonia lactiflora Roots 0.000750% Fitoterapia, 2008, 79, 117-120. 10.1016/j.fitote.2007.11.001
Paeoniaceae Paeonia lactiflora Roots 0.000333% Fitoterapia, 2016, 108, 55-61. 10.1016/j.fitote.2015.11.011
Paeoniaceae Paeonia suffruticosa Roots 0.000153% Nat Prod Res, 2014, 28, 301-305. 10.1080/14786419.2013.858340
Properties
HBA 11 HBD 4
HeavyAtoms 35 AlogP -0.70
TPSA 153.37 RotatableBonds 7
FractionCSP3 0.71 Rings 8
AromaticRings 1 AliphaticRings 7