TPCN00129

Name Galloyloxypaeoniflorin;Galloyl-oxypaeoniflorin
Molecular Formula C30H32O16
Molecular Weight 648.57
CAS Registry Number 145898-93-7
SMILES CC12CC3(O)OC(O1)C1(COC(=O)c4ccc(O)cc4)C3CC21OC1OC(COC(=O)c2cc(O)c(O)c(O)c2)C(O)C(O)C1O
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Paeoniaceae Paeonia obovata Roots 0.003280% Chem Pharm Bull (Tokyo), 2000, 48, 201-207. 10.1248/cpb.48.201
Paeoniaceae Paeonia suffruticosa Barks 0.001085% Arch Pharm Res, 2006, 29, 815-822. 10.1007/bf02973899
Paeoniaceae Paeonia suffruticosa Barks 0.000095% Chem Pharm Bull (Tokyo), 2003, 51, 58-61. 10.1021/np400571x
Properties
HBA 16 HBD 8
HeavyAtoms 46 AlogP -0.67
TPSA 251.36 RotatableBonds 8
FractionCSP3 0.53 Rings 9
AromaticRings 2 AliphaticRings 7