TPCN00560

Name 6??-O-galloylalbiflorin
Molecular Formula C30H32O15
Molecular Weight 632.57
CAS Registry Number 929042-36-4
SMILES CC12CC(O)C3CC1(OC1OC(COC(=O)c4cc(O)c(O)c(O)c4)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 0.000138% 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