TPCN00154

Name 6'-O-benzoylalbiflorin;Paeonivayin
Molecular Formula C30H32O12
Molecular Weight 584.57
CAS Registry Number 184103-78-4
SMILES CC12CC(O)C3CC1(OC1OC(COC(=O)c4ccccc4)C(O)C(O)C1O)C3(COC(=O)c1ccccc1)C(=O)O2
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Paeoniaceae Paeonia lactiflora Roots 0.002200% Fitoterapia, 2016, 108, 55-61. 10.1016/j.fitote.2015.11.011
Paeoniaceae Paeonia lactiflora Roots 0.000740% Arch Pharm Res, 2007, 30, 1179-1185. 10.1007/bf02980258
Paeoniaceae Paeoniae radix Whole plants 0.000104% Fitoterapia, 2019, 138, 104290. 10.1016/j.fitote.2019.104290
Properties
HBA 12 HBD 4
HeavyAtoms 42 AlogP 0.35
TPSA 178.28 RotatableBonds 8
FractionCSP3 0.50 Rings 7
AromaticRings 2 AliphaticRings 5