TPCN00036

[object Object]
Name Benzoylpaeoniflorin;Benzoyl paeoniflorin
Molecular Formula C30H32O12
Molecular Weight 584.57
CAS Registry Number 38642-49-8
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 obovata Roots 0.034650% Chem Pharm Bull (Tokyo), 2000, 48, 201-207. 10.1248/cpb.48.201
Paeoniaceae Paeonia lactiflora Roots 0.030000% Fitoterapia, 2008, 79, 117-124. 10.1016/j.fitote.2007.11.001
Paeoniaceae Paeonia lactiflora Roots 0.030000% Arch Pharm Res, 2007, 30, 1179-1185. 10.1007/bf02980258
Paeoniaceae Paeonia lactiflora Roots 0.006667% Fitoterapia, 2016, 108, 55-61. 10.1016/j.fitote.2015.11.011
Paeoniaceae Paeoniae radix Whole plants 0.000690% Fitoterapia, 2019, 138, 104290. 10.1016/j.fitote.2019.104290
Paeoniaceae Paeonia suffruticosa Barks 0.000390% Chem Pharm Bull (Tokyo), 2003, 51, 58-61. 10.1021/np400571x
Paeoniaceae Paeonia suffruticosa Roots 0.000273% 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