apioglycyrrhizin
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apioglycyrrhizin
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CAS No:
121709-66-8
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Formula:
C41H62O14
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Chemical Name:
apioglycyrrhizin
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Synonyms:
3-O-(beta-D-apiofuranosyl(1-2)-beta-D-glucuronopyranosyl)glycyrrhetic acid;apioglycyrrhizin;Apioglycyrrhizin;121709-66-8;3-O-(beta-D-Apiofuranosyl(1-2)-beta-D-glucuronopyranosyl)glycyrrhetic acid;DTXSID70923939;6-[(11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl)oxy]-5-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid;29-Hydroxy-11,29-dioxoolean-12-en-3-yl 2-O-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]hexopyranosiduronic acid
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CAS No:
Computed Properties
Molecular Weight:778.9
XLogP3:3.9
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:7
Exact Mass:778.41395665
Monoisotopic Mass:778.41395665
Topological Polar Surface Area:230
Heavy Atom Count:55
Complexity:1610
Undefined Atom Stereocenter Count:17
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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