β-D-Glucopyranose, cyclic 3,6-[(1R)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1,2,4-tris(3,4,5-trihydroxybenzoate)
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![β-D-Glucopyranose, cyclic 3,6-[(1R)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1,2,4-tris(3,4,5-trihydroxybenzoate) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c7466d8696f046a9b0ae78c9ed06a892.png "β-D-Glucopyranose, cyclic 3,6-[(1R)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1,2,4-tris(3,4,5-trihydroxybenzoate)")
β-D-Glucopyranose, cyclic 3,6-[(1R)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1,2,4-tris(3,4,5-trihydroxybenzoate)
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CAS No:
88847-11-4
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Formula:
C41H30O26
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Chemical Name:
β-D-Glucopyranose, cyclic 3,6-[(1R)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1,2,4-tris(3,4,5-trihydroxybenzoate)
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Synonyms:
β-D-Glucopyranose,cyclic 3,6-[(1R)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1,2,4-tris(3,4,5-trihydroxybenzoate);β-D-Glucopyranose,cyclic 3,6-(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate) 1,2,4-tris(3,4,5-trihydroxybenzoate),(R)-;8,12-Methano-10H-dibenzo[j,l][1,4,8]trioxacyclotetradecin,β-D-glucopyranose deriv.;Punicafolin
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CAS No:
β-D-Glucopyranose, cyclic 3,6-[(1R)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1,2,4-tris(3,4,5-trihydroxybenzoate) Basic Attributes
938.7 g/mol
938.66
DTXSID60332990
Computed Properties
Molecular Weight:938.7
XLogP3:2.4
Hydrogen Bond Donor Count:15
Hydrogen Bond Acceptor Count:26
Rotatable Bond Count:9
Exact Mass:938.10253106
Monoisotopic Mass:938.10253106
Topological Polar Surface Area:444
Heavy Atom Count:67
Complexity:1770
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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