TPCN01846

Name (4 R,5S,7R)-hinesolone-11-O-??-?-glucopyranoside
Molecular Formula C21H34O7
Molecular Weight 398.50
CAS Registry Number 2322286-17-7
SMILES CC1=CC(=O)CC(C)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 0.000081% Nat Prod Res 34(8): 1138-1145.(2020) 10.1080/14786419.2018.1553170
Properties
HBA 7 HBD 4
HeavyAtoms 28 AlogP 0.92
TPSA 116.45 RotatableBonds 4
FractionCSP3 0.86 Rings 3
AromaticRings 0 AliphaticRings 3