(3β,22β)-22-Hydroxyolean-12-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranosiduronic acid
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(3β,22β)-22-Hydroxyolean-12-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranosiduronic acid
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CAS No:
82793-02-0
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Formula:
C42H68O13
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Chemical Name:
(3β,22β)-22-Hydroxyolean-12-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranosiduronic acid
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Synonyms:
β-D-Glucopyranosiduronic acid,(3β,22β)-22-hydroxyolean-12-en-3-yl 2-O-β-D-glucopyranosyl-;(3β,22β)-22-Hydroxyolean-12-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranosiduronic acid;Azukisaponin I;111545-44-9
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CAS No:
(3β,22β)-22-Hydroxyolean-12-en-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranosiduronic acid Basic Attributes
781.0 g/mol
780.98
Computed Properties
Molecular Weight:781.0
XLogP3:4.7
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:6
Exact Mass:780.46599222
Monoisotopic Mass:780.46599222
Topological Polar Surface Area:216
Heavy Atom Count:55
Complexity:1500
Defined Atom Stereocenter Count:16
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Drug Function and Efficacy
Diuretic
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