Products 97605-25-9

CAS 97605-25-9 appears in our catalog under these names: Isoscoparin-2-²-D-glucopyranoside, Isoscoparin-2′′O-glucoside, 97%, 97%, Isoscoparin-2′′O-glucoside, 99.27%. Offered by: Biosynth, Chemat, MedChemExpress. Available pack sizes: 25mg, 50mg, 10mg, 1 mg, 5 mg.

Structural formula: {0} (CAS {1})

2''-O-beta-D-glucosylisoscoparin is a trihydroxyflavone that is isoscoparin glycosylated at position 2'' on the glucosyl ring by a beta-D-glucosyl residue. It has a role as a metabolite. It is a C-glycosyl compound, a monomethoxyflavone, a trihydroxyflavone and a disaccharide derivative. It is functionally related to an isoscoparin.

Source: ChEBI

Identity
Molecular formulaC28H32O16
Molecular weight624.5 g/mol
IUPAC name6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
InChIKeyAQQFWSYLUDMDBP-ODEMIOGVSA-N
SMILESCOC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O

Computed by PubChem (NCBI)