1,2,6-Tri-O-galloyl-β-D-glucose
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1,2,6-Tri-O-galloyl-β-D-glucose
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CAS No:
79886-49-0
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Formula:
C27H24O18
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Chemical Name:
1,2,6-Tri-O-galloyl-β-D-glucose
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Synonyms:
β-D-Glucopyranose,1,2,6-tris(3,4,5-trihydroxybenzoate);1,2,6-Tri-O-galloyl-β-D-glucopyranose;1,2,6-Tri-O-galloyl-β-D-glucose;1,2,6-Tri-galloyl-β-D-glucose;1,2,6-Tri-O-galloyl-β-D-glucoside;100563-15-3;145039-94-7;152273-77-3
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CAS No:
Description
1,2,6-tris-O-galloyl-beta-D-glucose is a galloyl-beta-D-glucose compound having the galloyl groups in the 1-, 2- and 6-positions. It is a gallate ester and a galloyl beta-D-glucose. It derives from a gallic acid and a beta-D-glucose.
Computed Properties
Molecular Weight:636.5
XLogP3:0.4
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:10
Exact Mass:636.09626391
Monoisotopic Mass:636.09626391
Topological Polar Surface Area:311
Heavy Atom Count:45
Complexity:1010
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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