TPCN01260

Name 11beta,13-dihydrosalonitenolide 15-O-beta-D-glucoside
Molecular Formula C21H32O9
Molecular Weight 428.48
CAS Registry Number 2096500-53-5
SMILES CC1=CCCC(COC2OC(CO)C(O)C(O)C2O)=CC2OC(=O)C(C)C2C(O)C1
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Cnicus benedictus Aerial parts 0.001057% Nat Prod Res 31(19): 2211-2217.(2017) 10.1080/14786419.2017.1295239
Properties
HBA 9 HBD 5
HeavyAtoms 30 AlogP -0.60
TPSA 145.91 RotatableBonds 4
FractionCSP3 0.76 Rings 3
AromaticRings 0 AliphaticRings 3