Olean-12-en-28-oic acid, 3-[[2-(acetylamino)-2-deoxy-6-O-β-D-glucopyranosyl-β-D-glucopyranosyl]oxy]-, (3β)-
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![Olean-12-en-28-oic acid, 3-[[2-(acetylamino)-2-deoxy-6-O-β-D-glucopyranosyl-β-D-glucopyranosyl]oxy]-, (3β)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5782189169654390bd7ced2579562471.png "Olean-12-en-28-oic acid, 3-[[2-(acetylamino)-2-deoxy-6-O-β-D-glucopyranosyl-β-D-glucopyranosyl]oxy]-, (3β)-")
Olean-12-en-28-oic acid, 3-[[2-(acetylamino)-2-deoxy-6-O-β-D-glucopyranosyl-β-D-glucopyranosyl]oxy]-, (3β)-
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CAS No:
122881-68-9
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Formula:
C44H71NO13
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Chemical Name:
Olean-12-en-28-oic acid, 3-[[2-(acetylamino)-2-deoxy-6-O-β-D-glucopyranosyl-β-D-glucopyranosyl]oxy]-, (3β)-
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Synonyms:
122881-68-9;DTXSID90924307;3-O-(beta-D-Glucopyranosyl-(1''-6')-2'-acetamido-2'-deoxy-beta-D-glucopyranosyl)olean-12-en-28-oic acid;3-({2-Deoxy-6-O-hexopyranosyl-2-[(1-hydroxyethylidene)amino]hexopyranosyl}oxy)olean-12-en-28-oic acid
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CAS No:
Olean-12-en-28-oic acid, 3-[[2-(acetylamino)-2-deoxy-6-O-β-D-glucopyranosyl-β-D-glucopyranosyl]oxy]-, (3β)- Basic Attributes
822.0 g/mol
821.49254132 g/mol
Computed Properties
Molecular Weight:822.0
XLogP3:3.7
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:8
Exact Mass:821.49254132
Monoisotopic Mass:821.49254132
Topological Polar Surface Area:225
Heavy Atom Count:58
Complexity:1600
Undefined Atom Stereocenter Count:18
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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