TPCN00407

Name Paeoniside A
Molecular Formula C30H32O12
Molecular Weight 584.57
CAS Registry Number 1505512-02-6
SMILES CC12CC3(O)OC(O1)C1(COC(=O)c4ccccc4)C3CC21OC1OC(COC(=O)c2ccccc2)C(O)C(O)C1O
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Paeoniaceae Paeonia suffruticosa Roots 0.000340% Nat Prod Res, 2014, 28, 301-305. 10.1080/14786419.2013.858340
Properties
HBA 12 HBD 4
HeavyAtoms 42 AlogP 0.51
TPSA 170.44 RotatableBonds 8
FractionCSP3 0.53 Rings 9
AromaticRings 2 AliphaticRings 7