α-D-Glucopyranose, cyclic 4,6-[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1,3-bis(3,4,5-trihydroxybenzoate)
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![α-D-Glucopyranose, cyclic 4,6-[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1,3-bis(3,4,5-trihydroxybenzoate) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/56f4c9a0cd0d4dacaa95a2607163a947.png "α-D-Glucopyranose, cyclic 4,6-[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1,3-bis(3,4,5-trihydroxybenzoate)")
α-D-Glucopyranose, cyclic 4,6-[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1,3-bis(3,4,5-trihydroxybenzoate)
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CAS No:
87687-52-3
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Formula:
C34H26O22
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Chemical Name:
α-D-Glucopyranose, cyclic 4,6-[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1,3-bis(3,4,5-trihydroxybenzoate)
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Synonyms:
α-D-Glucopyranose,cyclic 4,6-[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1,3-bis(3,4,5-trihydroxybenzoate);α-D-Glucopyranose,cyclic 4,6-(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate) 1,3-bis(3,4,5-trihydroxybenzoate),(S)-;Dibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecin,α-D-glucopyranose deriv.;Heterophylliin A
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CAS No:
α-D-Glucopyranose, cyclic 4,6-[(1S)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-dicarboxylate] 1,3-bis(3,4,5-trihydroxybenzoate) Basic Attributes
786.6 g/mol
786.56
Computed Properties
Molecular Weight:786.6
XLogP3:1.2
Hydrogen Bond Donor Count:13
Hydrogen Bond Acceptor Count:22
Rotatable Bond Count:6
Exact Mass:786.09157245
Monoisotopic Mass:786.09157245
Topological Polar Surface Area:377
Heavy Atom Count:56
Complexity:1420
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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