TPCN00285

Name 4'-O-Galloylpaeoniflorin;4??-O-galloylpaeoniflorin
Molecular Formula C30H32O15
Molecular Weight 632.57
CAS Registry Number 1201580-94-0
SMILES CC12CC3(O)OC(O1)C1(COC(=O)c4ccccc4)C3CC21OC1OC(CO)C(OC(=O)c2cc(O)c(O)c(O)c2)C(O)C1O
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Paeoniaceae Paeoniae radix Whole plants 0.000694% Fitoterapia, 2019, 138, 104290. 10.1016/j.fitote.2019.104290
Paeoniaceae Paeonia lactiflora Roots 0.000340% Chem Pharm Bull (Tokyo), 2009, 57, 1150-1152. 10.1248/cpb.57.1150
Properties
HBA 15 HBD 7
HeavyAtoms 45 AlogP -0.38
TPSA 231.13 RotatableBonds 8
FractionCSP3 0.53 Rings 9
AromaticRings 2 AliphaticRings 7