21-[(2-O-Hexopyranosylhexopyranosyl)oxy]-3,23-dihydroxyolean-12-en-28-oic acid
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![21-[(2-O-Hexopyranosylhexopyranosyl)oxy]-3,23-dihydroxyolean-12-en-28-oic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/87665b2a04b24865914f691a831e9276.png "21-[(2-O-Hexopyranosylhexopyranosyl)oxy]-3,23-dihydroxyolean-12-en-28-oic acid")
21-[(2-O-Hexopyranosylhexopyranosyl)oxy]-3,23-dihydroxyolean-12-en-28-oic acid
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CAS No:
103766-07-0
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Formula:
C42H68O15
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Chemical Name:
21-[(2-O-Hexopyranosylhexopyranosyl)oxy]-3,23-dihydroxyolean-12-en-28-oic acid
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Synonyms:
103766-07-0;Anchusoside-5;DTXSID40908576;21-[(2-O-Hexopyranosylhexopyranosyl)oxy]-3,23-dihydroxyolean-12-en-28-oic acid;Olean-12-en-28-oic acid, 21-((2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-3,23-dihydroxy-, (3beta,4alpha,21beta)-
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CAS No:
21-[(2-O-Hexopyranosylhexopyranosyl)oxy]-3,23-dihydroxyolean-12-en-28-oic acid Basic Attributes
813.0 g/mol
812.45582146 g/mol
Computed Properties
Molecular Weight:813.0
XLogP3:2.3
Hydrogen Bond Donor Count:10
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:8
Exact Mass:812.45582146
Monoisotopic Mass:812.45582146
Topological Polar Surface Area:256
Heavy Atom Count:57
Complexity:1540
Defined Atom Stereocenter Count:19
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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