21-(Hexopyranosyloxy)-3,23-dihydroxyolean-12-en-28-oic acid
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21-(Hexopyranosyloxy)-3,23-dihydroxyolean-12-en-28-oic acid
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CAS No:
96304-76-6
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Formula:
C36H58O10
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Chemical Name:
21-(Hexopyranosyloxy)-3,23-dihydroxyolean-12-en-28-oic acid
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Synonyms:
96304-76-6;Anchusoside 4;Anchusoside-4;DTXSID60914578;21-O-beta-D-Glucopyranosyl-3beta,21beta,23-trihydroxyolean-12-en-28-oic acid;21-(Hexopyranosyloxy)-3,23-dihydroxyolean-12-en-28-oic acid;Olean-12-en-28-oic acid, 21-(beta-D-glucopyranosyloxy)-3,23-dihydroxy-, (3beta,4alpha,21beta)-
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CAS No:
21-(Hexopyranosyloxy)-3,23-dihydroxyolean-12-en-28-oic acid Basic Attributes
650.8 g/mol
650.40299804 g/mol
Computed Properties
Molecular Weight:650.8
XLogP3:3.9
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:5
Exact Mass:650.40299804
Monoisotopic Mass:650.40299804
Topological Polar Surface Area:177
Heavy Atom Count:46
Complexity:1240
Defined Atom Stereocenter Count:14
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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