TPCN00018

[object Object]
Name Galloylpaeoniflorin
Molecular Formula C30H32O15
Molecular Weight 632.57
CAS Registry Number 122965-41-7
SMILES CC12CC3(O)OC(O1)C1(COC(=O)c4ccccc4)C3CC21OC1OC(COC(=O)c2cc(O)c(O)c(O)c2)C(O)C(O)C1O
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Paeoniaceae Paeonia obovata Roots 0.100000% Chem Pharm Bull (Tokyo), 2000, 48, 201-207. 10.1248/cpb.48.201
Ranunculaceae Paeonia albiflora Roots 0.013000% Arch Pharm Res, 1991, 14, 52-54. 10.1007/bf02857815
Paeoniaceae Paeonia lactiflora Roots 0.001333% Fitoterapia, 2016, 108, 55-61. 10.1016/j.fitote.2015.11.011
Paeoniaceae Paeonia suffruticosa Barks 0.000200% Chem Pharm Bull (Tokyo), 2003, 51, 58-61. 10.1021/np400571x
Paeoniaceae Paeonia lactiflora Roots 0.000117% Fitoterapia, 2014, 98, 124-129. 10.1016/j.fitote.2014.07.017
Paeoniaceae Paeoniae radix Whole plants 0.000057% Fitoterapia, 2019, 138, 104290. 10.1016/j.fitote.2019.104290
Properties
HBA 15 HBD 7
HeavyAtoms 45 AlogP -0.38
TPSA 231.13 RotatableBonds 8
FractionCSP3 0.53 Rings 9
AromaticRings 2 AliphaticRings 7