TPCN00309

Name 8-O-Galloyl Desbenzoylpaeoniflorin
Molecular Formula C23H28O14
Molecular Weight 528.46
CAS Registry Number 262350-49-2
SMILES CC12CC3(O)OC(O1)C1(COC(=O)c4cc(O)c(O)c(O)c4)C3CC21OC1OC(CO)C(O)C(O)C1O
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Paeoniaceae Paeonia obovata Roots 0.000595% Chem Pharm Bull (Tokyo), 2000, 48, 201-207. 10.1248/cpb.48.201
Properties
HBA 14 HBD 8
HeavyAtoms 37 AlogP -2.24
TPSA 225.06 RotatableBonds 6
FractionCSP3 0.70 Rings 8
AromaticRings 1 AliphaticRings 7