Olean-12-en-28-oic acid, 3-[(O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-β-D-glucopyranosyl)oxy]-, (3β)-
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![Olean-12-en-28-oic acid, 3-[(O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-β-D-glucopyranosyl)oxy]-, (3β)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/a71ab65b18db42c4baf977f5dcec09ef.png "Olean-12-en-28-oic acid, 3-[(O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-β-D-glucopyranosyl)oxy]-, (3β)-")
Olean-12-en-28-oic acid, 3-[(O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-β-D-glucopyranosyl)oxy]-, (3β)-
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CAS No:
50657-29-9
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Formula:
C48H78O18
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Chemical Name:
Olean-12-en-28-oic acid, 3-[(O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-β-D-glucopyranosyl)oxy]-, (3β)-
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Synonyms:
Olean-12-en-28-oic acid,3-[(O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-β-D-glucopyranosyl)oxy]-,(3β)-;Oleanoglycotoxin A
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CAS No:
Olean-12-en-28-oic acid, 3-[(O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-β-D-glucopyranosyl)oxy]-, (3β)- Basic Attributes
943.1 g/mol
943.12
Computed Properties
Molecular Weight:943.1
XLogP3:2.2
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:10
Exact Mass:942.51881563
Monoisotopic Mass:942.51881563
Topological Polar Surface Area:295
Heavy Atom Count:66
Complexity:1800
Defined Atom Stereocenter Count:23
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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