Benzeneacetonitrile, α-[[6-O-[4-O-[1-oxo-3-[4-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]phenyl]-2-propenyl]-β-D-xylopyranosyl]-β-D-glucopyranosyl]oxy]-, [S-(E)]-
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![Benzeneacetonitrile, α-[[6-O-[4-O-[1-oxo-3-[4-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]phenyl]-2-propenyl]-β-D-xylopyranosyl]-β-D-glucopyranosyl]oxy]-, [S-(E)]- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2e04808d22df4af8855523ab6f694917.png "Benzeneacetonitrile, α-[[6-O-[4-O-[1-oxo-3-[4-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]phenyl]-2-propenyl]-β-D-xylopyranosyl]-β-D-glucopyranosyl]oxy]-, [S-(E)]-")
Benzeneacetonitrile, α-[[6-O-[4-O-[1-oxo-3-[4-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]phenyl]-2-propenyl]-β-D-xylopyranosyl]-β-D-glucopyranosyl]oxy]-, [S-(E)]-
structure -
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CAS No:
89354-48-3
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Formula:
C39H49NO21
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Chemical Name:
Benzeneacetonitrile, α-[[6-O-[4-O-[1-oxo-3-[4-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]phenyl]-2-propenyl]-β-D-xylopyranosyl]-β-D-glucopyranosyl]oxy]-, [S-(E)]-
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Synonyms:
Benzeneacetonitrile,α-[[6-O-[4-O-[1-oxo-3-[4-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]phenyl]-2-propenyl]-β-D-xylopyranosyl]-β-D-glucopyranosyl]oxy]-,[S-(E)]-;2-Propenoic acid,3-[4-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]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 A is an anthemis glycoside that is found in the cyanogenic achenes of Anthemis altissima. It is an anthemis glycoside, a disaccharide derivative, an O-acyl carbohydrate and a nitrile. It derives from a trans-cinnamic acid.
Benzeneacetonitrile, α-[[6-O-[4-O-[1-oxo-3-[4-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]phenyl]-2-propenyl]-β-D-xylopyranosyl]-β-D-glucopyranosyl]oxy]-, [S-(E)]- Basic Attributes
867.80046
867.80
Computed Properties
Molecular Weight:867.8
XLogP3:-4.2
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:22
Rotatable Bond Count:15
Exact Mass:867.27970757
Monoisotopic Mass:867.27970757
Topological Polar Surface Area:347
Heavy Atom Count:61
Complexity:1460
Defined Atom Stereocenter Count:19
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Benzeneacetonitrile, α-[[6-O-[4-O-[1-oxo-3-[4-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]phenyl]-2-propenyl]-β-D-xylopyranosyl]-β-D-glucopyranosyl]oxy]-, [S-(E)]-
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