TPCN00480

Name Paeobrin
Molecular Formula C23H28O10
Molecular Weight 464.47
CAS Registry Number 1037683-15-0
SMILES CC12OC3CC(O1)C1(COC(=O)c4ccccc4)C3CC21OC1OC(CO)C(O)C(O)C1O
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Paeoniaceae Paeonia hybrida Roots 0.000227% Phytochemistry, 2008, 69, 1767-1772. 10.1016/j.phytochem.2008.02.016
Properties
HBA 10 HBD 4
HeavyAtoms 33 AlogP -0.68
TPSA 144.14 RotatableBonds 6
FractionCSP3 0.70 Rings 8
AromaticRings 1 AliphaticRings 7