MW: 742.64
MDL: MFCD05725882
TNP:
CICHORIN; DEMETHYLSCOPOLIN; ESCULETIN 7-O-GLUCOSIDE
LogP: 7.47
LogS: -6.1
Acceptors: 18
Donors: 0
Rotation Bonds: 18
Chiral Centers: 5
N+O: 18
LIPINSKY: 1
IUPAC: 2-acetyloxy-4-{5-acetyloxy-4-oxo-7-[3,4,5-triacetyloxy-6-(acetyloxymethyl)(2H- 3,4,5,6-tetrahydropyran-2-yloxy)]chromen-3-yl}phenyl acetate
Smiles: c1(cc(c2c(=O)c(c3cc(c(cc3)OC(C)=O)OC(=O)C)coc2c1)OC(=O)C)OC1OC(C(C(C1OC(C)=O)OC(=O)C)OC(=O)C)COC(=O)C
SOURCE: Isoflavone for example from: Maackia amurensis Rupr. et. Maxim.
Specification: DEMETHYLSCOPOLIN
DEMETHYLSCOPOLIN Usage And Synthesis DEMETHYLSCOPOLIN
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