TPCN01868

Name Syringaresinol-40-O-??-?-glucopyranoside
Molecular Formula C28H36O13
Molecular Weight 580.58
CAS Registry Number 7374-79-0
SMILES COc1cc(C2OCC3C(c4cc(OC)c(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23)cc(OC)c1O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Atractylodes lancea Subterraneous stems 0.000072% Nat Prod Res 34(8): 1138-1145.(2020) 10.1080/14786419.2018.1553170
Properties
HBA 13 HBD 5
HeavyAtoms 41 AlogP 0.68
TPSA 174.99 RotatableBonds 9
FractionCSP3 0.57 Rings 5
AromaticRings 2 AliphaticRings 3