1-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-8-hydroxy-3-methoxy-6-methyl-9,10-anthracenedione
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![1-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-8-hydroxy-3-methoxy-6-methyl-9,10-anthracenedione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ae6a59ea174d45ccbe915e29e6d118e9.png "1-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-8-hydroxy-3-methoxy-6-methyl-9,10-anthracenedione")
1-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-8-hydroxy-3-methoxy-6-methyl-9,10-anthracenedione
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CAS No:
84268-38-2
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Formula:
C28H32O15
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Chemical Name:
1-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-8-hydroxy-3-methoxy-6-methyl-9,10-anthracenedione
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Synonyms:
9,10-Anthracenedione,1-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-8-hydroxy-3-methoxy-6-methyl-;1-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-8-hydroxy-3-methoxy-6-methyl-9,10-anthracenedione;NSC 374115;Physcion-8-O-β-gentiobioside
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CAS No:
1-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-8-hydroxy-3-methoxy-6-methyl-9,10-anthracenedione Basic Attributes
608.5 g/mol
608.54
Computed Properties
Molecular Weight:608.5
XLogP3:-0.9
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:7
Exact Mass:608.17412031
Monoisotopic Mass:608.17412031
Topological Polar Surface Area:242
Heavy Atom Count:43
Complexity:997
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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