Betavulgaroside III
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Betavulgaroside III
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CAS No:
168111-48-6
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Formula:
C47H72O20
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Chemical Name:
Betavulgaroside III
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Synonyms:
β-D-Glucopyranosiduronic acid,(3β)-28-(β-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl 3-O-[(1S,2S)-2-carboxy-1-(carboxymethoxy)-2-hydroxyethyl]-;(3β)-28-(β-D-Glucopyranosyloxy)-28-oxoolean-12-en-3-yl 3-O-[(1S,2S)-2-carboxy-1-(carboxymethoxy)-2-hydroxyethyl]-β-D-glucopyranosiduronic acid;Betavulgaroside III
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CAS No:
Computed Properties
Molecular Weight:957.1
XLogP3:3.4
Hydrogen Bond Donor Count:10
Hydrogen Bond Acceptor Count:20
Rotatable Bond Count:14
Exact Mass:956.46169468
Monoisotopic Mass:956.46169468
Topological Polar Surface Area:326
Heavy Atom Count:67
Complexity:1920
Defined Atom Stereocenter Count:15
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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