4-(β-D-Glucopyranosyloxy)-3-methoxy-5-(3-methyl-2-butenyl)benzoic acid [(4S,5R)-1-azabicyclo[3.3.0]octan-4-yl]methyl ester
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4-(β-D-Glucopyranosyloxy)-3-methoxy-5-(3-methyl-2-butenyl)benzoic acid [(4S,5R)-1-azabicyclo[3.3.0]octan-4-yl]methyl ester
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CAS No:
40766-50-5
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Formula:
C27H39NO9
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Chemical Name:
4-(β-D-Glucopyranosyloxy)-3-methoxy-5-(3-methyl-2-butenyl)benzoic acid [(4S,5R)-1-azabicyclo[3.3.0]octan-4-yl]methyl ester
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Synonyms:
Keitaoine
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CAS No:
4-(β-D-Glucopyranosyloxy)-3-methoxy-5-(3-methyl-2-butenyl)benzoic acid [(4S,5R)-1-azabicyclo[3.3.0]octan-4-yl]methyl ester Basic Attributes
521.59986
521.262
Computed Properties
Molecular Weight:521.6
XLogP3:2.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:10
Exact Mass:521.26248182
Monoisotopic Mass:521.26248182
Topological Polar Surface Area:138
Heavy Atom Count:37
Complexity:790
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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