TPCN00092

[object Object]
Name Benzoyloxypaeoniflorin;??-benzoyloxypaeoniflorin
Molecular Formula C30H32O13
Molecular Weight 600.57
CAS Registry Number 72896-40-3
SMILES CC12CC3(O)OC(O1)C1(COC(=O)c4ccc(O)cc4)C3CC21OC1OC(COC(=O)c2ccccc2)C(O)C(O)C1O
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Paeoniaceae Paeonia obovata Roots 0.007050% Chem Pharm Bull (Tokyo), 2000, 48, 201-207. 10.1248/cpb.48.201
Paeoniaceae Paeonia lactiflora Roots 0.002667% Fitoterapia, 2016, 108, 55-61. 10.1016/j.fitote.2015.11.011
Paeoniaceae Paeonia suffruticosa Roots 0.001643% Fitoterapia, 2012, 83, 1598-1608. 10.1016/j.fitote.2012.09.008
Paeoniaceae Paeonia delavayi Roots 0.001500% Fitoterapia, 2007, 78, 76-78. 10.1016/j.fitote.2006.09.014
Paeoniaceae Paeonia suffruticosa Barks 0.000153% Chem Pharm Bull (Tokyo), 2003, 51, 58-61. 10.1021/np400571x
Properties
HBA 13 HBD 5
HeavyAtoms 43 AlogP 0.21
TPSA 190.67 RotatableBonds 8
FractionCSP3 0.53 Rings 9
AromaticRings 2 AliphaticRings 7