TPCN02058

Name (3S,4S,5S,7R)-3-Hydroxyhinesolone-11-O-??-D-glucopyranoside
Molecular Formula C21H34O8
Molecular Weight 414.50
CAS Registry Number 1932660-14-4
SMILES CC1=CC(=O)C(O)C(C)C12CCC(C(C)(C)OC1OC(CO)C(O)C(O)C1O)C2
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Atractylodes lancea Subterraneous stems 0.000008% J Nat Prod 79(6): 1567-1575.(2016) 10.1021/acs.jnatprod.6b00066
Properties
HBA 8 HBD 5
HeavyAtoms 29 AlogP -0.11
TPSA 136.68 RotatableBonds 4
FractionCSP3 0.86 Rings 3
AromaticRings 0 AliphaticRings 3