TPCN00323

Name 4-epi-albiflorin
Molecular Formula C23H28O11
Molecular Weight 480.47
CAS Registry Number 1994318-31-8
SMILES CC12CC(O)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 0.000533% Fitoterapia, 2016, 108, 55-61. 10.1016/j.fitote.2015.11.011
Properties
HBA 11 HBD 5
HeavyAtoms 34 AlogP -1.51
TPSA 172.21 RotatableBonds 6
FractionCSP3 0.65 Rings 6
AromaticRings 1 AliphaticRings 5