TPCN00025

[object Object]
Name Oxypaeoniflorin
Molecular Formula C23H28O12
Molecular Weight 496.47
CAS Registry Number 39011-91-1
SMILES CC12CC3(O)OC(O1)C1(COC(=O)c4ccc(O)cc4)C3CC21OC1OC(CO)C(O)C(O)C1O
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Paeoniaceae Paeonia obovata Roots 0.064000% Chem Pharm Bull (Tokyo), 2000, 48, 201-207. 10.1248/cpb.48.201
Paeoniaceae Paeonia delavayi Roots 0.003700% Fitoterapia, 2007, 78, 76-78. 10.1016/j.fitote.2006.09.014
Paeoniaceae Paeonia suffruticosa Barks 0.000295% Chem Pharm Bull (Tokyo), 2003, 51, 58-61. 10.1021/np400571x
Paeoniaceae Paeonia lactiflora Roots 0.000200% Fitoterapia, 2016, 108, 55-61. 10.1016/j.fitote.2015.11.011
Paeoniaceae Paeoniae radix Whole plants 0.000041% Fitoterapia, 2019, 138, 104290. 10.1016/j.fitote.2019.104290
Properties
HBA 12 HBD 6
HeavyAtoms 35 AlogP -1.65
TPSA 184.60 RotatableBonds 6
FractionCSP3 0.70 Rings 8
AromaticRings 1 AliphaticRings 7