3-[(6-O-Acetyl-β-D-glucopyranosyl)oxy]-1,6-dihydroxy-2-methyl-9,10-anthracenedione
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![3-[(6-O-Acetyl-β-D-glucopyranosyl)oxy]-1,6-dihydroxy-2-methyl-9,10-anthracenedione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/df00199ae7a54703b82266262a4b9cdb.png "3-[(6-O-Acetyl-β-D-glucopyranosyl)oxy]-1,6-dihydroxy-2-methyl-9,10-anthracenedione")
3-[(6-O-Acetyl-β-D-glucopyranosyl)oxy]-1,6-dihydroxy-2-methyl-9,10-anthracenedione
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CAS No:
132367-98-7
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Formula:
C23H22O11
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Chemical Name:
3-[(6-O-Acetyl-β-D-glucopyranosyl)oxy]-1,6-dihydroxy-2-methyl-9,10-anthracenedione
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Synonyms:
9,10-Anthracenedione,3-[(6-O-acetyl-β-D-glucopyranosyl)oxy]-1,6-dihydroxy-2-methyl-;3-[(6-O-Acetyl-β-D-glucopyranosyl)oxy]-1,6-dihydroxy-2-methyl-9,10-anthracenedione
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CAS No:
Description
1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6'-O-acetyl)-beta-D-glucopyranoside is a monosaccharide derivative that is 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone attached to a (6'-O-acetyl)-beta-D-glucopyranosyl residue at position 3 via a glycosidic linkage. It has been isolated from the roots of Rubia yunnanensis. It has a role as a plant metabolite. It is a dihydroxyanthraquinone, an acetate ester, a monosaccharide derivative and a beta-D-glucoside. It derives from a 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone.
3-[(6-O-Acetyl-β-D-glucopyranosyl)oxy]-1,6-dihydroxy-2-methyl-9,10-anthracenedione Basic Attributes
474.4 g/mol
474.41
Computed Properties
Molecular Weight:474.4
XLogP3:0.9
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:5
Exact Mass:474.11621151
Monoisotopic Mass:474.11621151
Topological Polar Surface Area:180
Heavy Atom Count:34
Complexity:802
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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