TPCN00178

Name 4-O-galloylalbiflorin;4-O-Galloylalbiflorin
Molecular Formula C30H32O15
Molecular Weight 632.57
CAS Registry Number 1201580-97-3
SMILES CC12CC(OC(=O)c3cc(O)c(O)c(O)c3)C3CC1(OC1OC(CO)C(O)C(O)C1O)C3(COC(=O)c1ccccc1)C(=O)O2
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Paeoniaceae Paeonia lactiflora Roots 0.001620% J Asian Nat Prod Res, 2009, 11, 670-674. 10.1080/10286020902980087
Paeoniaceae Paeonia lactiflora Roots 0.000270% Chem Pharm Bull (Tokyo), 2009, 57, 1150-1152. 10.1248/cpb.57.1150
Paeoniaceae Paeoniae radix Whole plants 0.000214% Fitoterapia, 2019, 138, 104290. 10.1016/j.fitote.2019.104290
Paeoniaceae Paeonia lactiflora Roots 0.000085% Fitoterapia, 2014, 98, 124-129. 10.1016/j.fitote.2014.07.017
Properties
HBA 15 HBD 7
HeavyAtoms 45 AlogP -0.53
TPSA 238.97 RotatableBonds 8
FractionCSP3 0.50 Rings 7
AromaticRings 2 AliphaticRings 5