1,2,3,6-Tetra-O-galloyl-β-D-glucose
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1,2,3,6-Tetra-O-galloyl-β-D-glucose
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CAS No:
79886-50-3
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Formula:
C34H28O22
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Chemical Name:
1,2,3,6-Tetra-O-galloyl-β-D-glucose
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Synonyms:
β-D-Glucopyranose,1,2,3,6-tetrakis(3,4,5-trihydroxybenzoate);1,2,3,6-Tetra-O-galloyl-β-D-glucopyranose;β-D-Glucopyranose 1,2,3,6-tetragallate;1(β),2,3,6-Tetra-O-galloylglucose;1,2,3,6-Tetra-O-galloyl-β-D-glucose;NP 003686;Tetra-O-galloyl-β-D-glucose (TGG);Tetra-O-galloyl-β-D-glucose;TGG;84297-48-3
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CAS No:
Description
1,2,3,6-tetrakis-O-galloyl-beta-D-glucose is a galloyl-beta-D-glucose compound having four galloyl groups in the 1-, 2-, 3- and 6-positions. It is a gallate ester and a galloyl beta-D-glucose.
Computed Properties
Molecular Weight:788.6
XLogP3:1.5
Hydrogen Bond Donor Count:13
Hydrogen Bond Acceptor Count:22
Rotatable Bond Count:13
Exact Mass:788.10722252
Monoisotopic Mass:788.10722252
Topological Polar Surface Area:377
Heavy Atom Count:56
Complexity:1340
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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