 Home > Encyclopedia > methyl trihydroxy-dimethyl-(3-methylbut-2-enoyloxy)-oxo-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-[?]carboxylate

methyl trihydroxy-dimethyl-(3-methylbut-2-enoyloxy)-oxo-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-[?]carboxylate

methyl trihydroxy-dimethyl-(3-methylbut-2-enoyloxy)-oxo-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-[?]carboxylate structure

CAS No:
95258-20-1
Formula:
C32H44O16
Chemical Name:
methyl trihydroxy-dimethyl-(3-methylbut-2-enoyloxy)-oxo-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-[?]carboxylate
Synonyms:
Yadanzioside E;95258-20-1;Picras-3-en-21-oic acid, 13,20-epoxy-3-(beta-D-glucopyranosyloxy)-1,11,12-trihydroxy-15-((3-methyl-1-oxy-2-butenyl)oxy)-16-oxo-, methyl ester, (1beta,11beta,12alpha,15beta)-;DTXSID80915047;Methyl 2-(hexopyranosyloxy)-1,11,12-trihydroxy-15-[(3-methylbut-2-enoyl)oxy]-16-oxo-13,20-epoxypicras-3-en-21-oate;methyl trihydroxy-dimethyl-(3-methylbut-2-enoyloxy)-oxo-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-[?]carboxylate;Picras-3-en-21-oic acid, 13,20-epoxy-3-(.beta.-D-glucopyranosyloxy)-1,11,12-trihydroxy-15-[(3-methyl-1-oxy-2-butenyl)oxy]-16-oxo-, methyl ester, (1.beta.,11.beta.,12.alpha.,15.beta.)-

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methyl trihydroxy-dimethyl-(3-methylbut-2-enoyloxy)-oxo-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-[?]carboxylate Basic Attributes

Molecular Weight：

684.7 g/mol

Exact Mass：

684.26293531 g/mol

Characteristics

PSA：

248 Å²

Computed Properties

Molecular Weight:684.7
XLogP3:-1.4
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:8
Exact Mass:684.26293531
Monoisotopic Mass:684.26293531
Topological Polar Surface Area:248
Heavy Atom Count:48
Complexity:1390
Defined Atom Stereocenter Count:16
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of methyl trihydroxy-dimethyl-(3-methylbut-2-enoyloxy)-oxo-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-[?]carboxylate

Basic Attributes
Characteristics
Computed Properties
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