TPCN01925

Name (5R,7R)-14-Hydroxy-3,4-dehydrohinesolone-11-O-??-D-glucopyranoside
Molecular Formula C21H32O8
Molecular Weight 412.48
CAS Registry Number 1932660-09-7
SMILES CC1=CC(=O)C=C(CO)C12CCC(C(C)(C)OC1OC(CO)C(O)C(O)C1O)C2
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Celastraceae Atractylodes lancea Subterraneous stems 0.000050% J Nat Prod 79(6): 1567-1575.(2016) 10.1021/acs.jnatprod.6b00066
Properties
HBA 8 HBD 5
HeavyAtoms 29 AlogP -0.18
TPSA 136.68 RotatableBonds 5
FractionCSP3 0.76 Rings 3
AromaticRings 0 AliphaticRings 3