TPCN00168

Name 6'-O-Galloyl Desbenzoylalbiflorin
Molecular Formula C23H28O14
Molecular Weight 528.46
CAS Registry Number 262350-55-0
SMILES CC12CC(O)C3CC1(OC1OC(COC(=O)c4cc(O)c(O)c(O)c4)C(O)C(O)C1O)C3(CO)C(=O)O2
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Paeoniaceae Paeonia obovata Roots 0.001785% Chem Pharm Bull (Tokyo), 2000, 48, 201-207. 10.1248/cpb.48.201
Properties
HBA 14 HBD 8
HeavyAtoms 37 AlogP -2.40
TPSA 232.90 RotatableBonds 6
FractionCSP3 0.65 Rings 6
AromaticRings 1 AliphaticRings 5