TPCN00212

Name 2'-O-benzoylpaeoniflorin
Molecular Formula C30H32O12
Molecular Weight 584.57
CAS Registry Number 1456598-64-3
SMILES CC12CC3(O)OC(O1)C1(COC(=O)c4ccccc4)C3CC21OC1OC(CO)C(O)C(O)C1OC(=O)c1ccccc1
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Paeoniaceae Paeonia lactiflora Roots 0.001233% J Asian Nat Prod Res, 2013, 15, 697-702. 10.1080/10286020.2013.794420
Properties
HBA 12 HBD 4
HeavyAtoms 42 AlogP 0.51
TPSA 170.44 RotatableBonds 8
FractionCSP3 0.53 Rings 9
AromaticRings 2 AliphaticRings 7