Atractyloside
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Atractyloside
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CAS No:
17754-44-8
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Formula:
C30H46O16S2.2K
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Chemical Name:
Atractyloside
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Synonyms:
19-Norkaur-16-en-18-oic acid,15-hydroxy-2-[[2-O-(3-methyl-1-oxobutyl)-3,4-di-O-sulfo-β-D-glucopyranosyl]oxy]-,potassium salt (1:2),(2β,4α,15α)-;19-Norkaur-16-en-18-oic acid,15-hydroxy-2-[[2-O-(3-methyl-1-oxobutyl)-3,4-di-O-sulfo-β-D-glucopyranosyl]oxy]-,dipotassium salt,(2β,4α,15α)-;Atractyloside;1H-2,10a-Ethanophenanthrene,19-norkaur-16-en-18-oic acid deriv.;Atractylin (C30 glucoside);Atractylic acid,dipotassium salt;Atractylin,potassium salt;Potassium atractylate;1398-14-7;11002-87-2;11016-37-8;17731-09-8;18971-15-8;41585-92-6;100938-05-4;880259-31-4
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CAS No:
Description
Atractyloside is an organic molecular entity.|A glycoside of a kaurene type diterpene that is found in some plants including Atractylis gummifera (ATRACTYLIS); COFFEE; XANTHIUM, and CALLILEPIS. Toxicity is due to inhibition of ADENINE NUCLEOTIDE TRANSLOCASE.
Drug Information
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)
Acid, Atractylic
Computed Properties
Molecular Weight:803.0
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:10
Exact Mass:802.1344906
Monoisotopic Mass:802.1344906
Topological Polar Surface Area:272
Heavy Atom Count:50
Complexity:1440
Defined Atom Stereocenter Count:13
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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