8-(β-D-Glucopyranosyloxy)-3,4-dihydro-3-(4-hydroxyphenyl)-1H-2-benzopyran-1-one
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8-(β-D-Glucopyranosyloxy)-3,4-dihydro-3-(4-hydroxyphenyl)-1H-2-benzopyran-1-one
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CAS No:
67600-94-6
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Formula:
C21H22O9
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Chemical Name:
8-(β-D-Glucopyranosyloxy)-3,4-dihydro-3-(4-hydroxyphenyl)-1H-2-benzopyran-1-one
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Synonyms:
1H-2-Benzopyran-1-one,8-(β-D-glucopyranosyloxy)-3,4-dihydro-3-(4-hydroxyphenyl)-;8-(β-D-Glucopyranosyloxy)-3,4-dihydro-3-(4-hydroxyphenyl)-1H-2-benzopyran-1-one;Hydrangenol 8-O-β-D-glucopyranoside
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CAS No:
Description
ChEBI: A member of the class of dihydroisocoumarins that is hydrangenol attached to a beta-D-glucopyranosyl residue at position 8 via a glycosidic linkage. It has been isolated from the roots of Scorzonera judaica.
Hydrangenol 8-O-beta-D-glucopyranoside is a member of the class of dihydroisocoumarins that is hydrangenol attached to a beta-D-glucopyranosyl residue at position 8 via a glycosidic linkage. It has been isolated from the roots of Scorzonera judaica. It has a role as a metabolite and a plant metabolite. It is a member of dihydroisocoumarins, a member of phenols, a monosaccharide derivative and a beta-D-glucoside. It derives from a hydrangenol.
8-(β-D-Glucopyranosyloxy)-3,4-dihydro-3-(4-hydroxyphenyl)-1H-2-benzopyran-1-one Basic Attributes
418.39398
418.39
Characteristics
145.91000
-0.39
1.5±0.1 g/cm3
190-194 °C
763.7±60.0 °C at 760 mmHg
272.0±26.4 °C
1.670
Computed Properties
Molecular Weight:418.4
XLogP3:0.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:418.12638228
Monoisotopic Mass:418.12638228
Topological Polar Surface Area:146
Heavy Atom Count:30
Complexity:593
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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