1-O-Caffeoyl-β-D-glucopyranose
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1-O-Caffeoyl-β-D-glucopyranose
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CAS No:
14364-08-0
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Formula:
C15H18O9
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Chemical Name:
1-O-Caffeoyl-β-D-glucopyranose
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Synonyms:
β-D-Glucopyranose,1-[3-(3,4-dihydroxyphenyl)-2-propenoate];Glucopyranose,1-(3,4-dihydroxycinnamate),β-D-;1-Caffeoyl-β-D-glucose;β-D-Glucopyranose 1-(3,4-dihydroxycinnamate);1-O-Caffeoyl-β-D-glucopyranose;1-O-Caffeoylglucose;1-Caffeoylglucose;27938-46-1
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CAS No:
Description
ChEBI: A cinnamate ester obtained by the formal condensation of the 1-hydroxy group of beta-D-glucopyranose with the carboxy group of trans-caffeic acid.
1-caffeoyl-beta-D-glucose is a cinnamate ester obtained by the formal condensation of the 1-hydroxy group of beta-D-glucopyranose with the carboxy group of trans-caffeic acid. It has a role as a plant metabolite. It is a beta-D-glucoside, a monosaccharide derivative, a member of catechols and a cinnamate ester. It derives from a trans-caffeic acid.
Computed Properties
Molecular Weight:342.30
XLogP3:-0.6
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:342.09508215
Monoisotopic Mass:342.09508215
Topological Polar Surface Area:157
Heavy Atom Count:24
Complexity:454
Defined Atom Stereocenter Count:5
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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