Benzeneacetonitrile, α-[[6-O-[4-O-[3-[4-(β-D-glucopyranosyloxy)phenyl]-1-oxo-2-propenyl]-β-D-xylopyranosyl]-β-D-glucopyranosyl]oxy]-, [S-(E)]-
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![Benzeneacetonitrile, α-[[6-O-[4-O-[3-[4-(β-D-glucopyranosyloxy)phenyl]-1-oxo-2-propenyl]-β-D-xylopyranosyl]-β-D-glucopyranosyl]oxy]-, [S-(E)]- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5917e78f76f149f4a78124b93640090b.png "Benzeneacetonitrile, α-[[6-O-[4-O-[3-[4-(β-D-glucopyranosyloxy)phenyl]-1-oxo-2-propenyl]-β-D-xylopyranosyl]-β-D-glucopyranosyl]oxy]-, [S-(E)]-")
Benzeneacetonitrile, α-[[6-O-[4-O-[3-[4-(β-D-glucopyranosyloxy)phenyl]-1-oxo-2-propenyl]-β-D-xylopyranosyl]-β-D-glucopyranosyl]oxy]-, [S-(E)]-
structure -
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CAS No:
89354-49-4
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Formula:
C34H41NO17
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Chemical Name:
Benzeneacetonitrile, α-[[6-O-[4-O-[3-[4-(β-D-glucopyranosyloxy)phenyl]-1-oxo-2-propenyl]-β-D-xylopyranosyl]-β-D-glucopyranosyl]oxy]-, [S-(E)]-
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Synonyms:
Benzeneacetonitrile,α-[[6-O-[4-O-[3-[4-(β-D-glucopyranosyloxy)phenyl]-1-oxo-2-propenyl]-β-D-xylopyranosyl]-β-D-glucopyranosyl]oxy]-,[S-(E)]-;2-Propenoic acid,3-[4-(β-D-glucopyranosyloxy)phenyl]-,4′′-ester with α-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]benzeneacetonitrile,[S-(E)]-
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CAS No:
Description
Anthemis glycoside B is an anthemis glycoside that is found in the cyanogenic achenes of Anthemis altissima. It is an anthemis glycoside, an O-acyl carbohydrate, a disaccharide derivative and a nitrile. It derives from a trans-cinnamic acid.
Benzeneacetonitrile, α-[[6-O-[4-O-[3-[4-(β-D-glucopyranosyloxy)phenyl]-1-oxo-2-propenyl]-β-D-xylopyranosyl]-β-D-glucopyranosyl]oxy]-, [S-(E)]- Basic Attributes
735.68584
735.69
Computed Properties
Molecular Weight:735.7
XLogP3:-2.1
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:13
Exact Mass:735.23744884
Monoisotopic Mass:735.23744884
Topological Polar Surface Area:288
Heavy Atom Count:52
Complexity:1200
Defined Atom Stereocenter Count:15
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Benzeneacetonitrile, α-[[6-O-[4-O-[3-[4-(β-D-glucopyranosyloxy)phenyl]-1-oxo-2-propenyl]-β-D-xylopyranosyl]-β-D-glucopyranosyl]oxy]-, [S-(E)]-
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