TPCN00976

Name 11??,13-dihydroparthenolide-14-O-??-D-glucopyranoside
Molecular Formula C21H32O9
Molecular Weight 428.48
CAS Registry Number 1013428-26-6
SMILES CC1C(=O)OC2C1CCC(COC1OC(CO)C(O)C(O)C1O)=CCCC1(C)OC21
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Staehelina fruticosa Aerial parts 0.005318% J Nat Prod 71(5): 847-851.(2008) 10.1021/np070252e
Properties
HBA 9 HBD 4
HeavyAtoms 30 AlogP -0.36
TPSA 138.21 RotatableBonds 4
FractionCSP3 0.86 Rings 4
AromaticRings 0 AliphaticRings 4