TPCN00412

Name Salicylpaeoniflorin
Molecular Formula C23H28O12
Molecular Weight 496.47
CAS Registry Number 1037271-04-7
SMILES CC12CC3(O)OC(O1)C1(COC(=O)c4ccccc4O)C3CC21OC1OC(CO)C(O)C(O)C1O
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Paeoniaceae Paeonia lactiflora Roots 0.000333% Fitoterapia, 2016, 108, 55-61. 10.1016/j.fitote.2015.11.011
Paeoniaceae Paeonia hybrida Roots 0.000136% Phytochemistry, 2008, 69, 1767-1772. 10.1016/j.phytochem.2008.02.016
Properties
HBA 12 HBD 6
HeavyAtoms 35 AlogP -1.65
TPSA 184.60 RotatableBonds 6
FractionCSP3 0.70 Rings 8
AromaticRings 1 AliphaticRings 7