2-hydroxy-10-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
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![2-hydroxy-10-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2147348775ec41ce8d185da6471f5b62.png "2-hydroxy-10-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid")
2-hydroxy-10-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
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CAS No:
135630-75-0
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Formula:
C45H72O17
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Chemical Name:
2-hydroxy-10-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
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Synonyms:
3,20-dihydroxy-30-norolean-12-en-28-oic acid 3-O-(beta-xylopyranosyl(1-2)-alpha-arabinopyranosyl(1-3))-beta-glucopyranside;mubenoside A;Mubenoside A;135630-75-0;DTXSID50929090;2-hydroxy-2,6a,6b,9,9,12a-hexamethyl-10-{[pentopyranosyl-(1->2)-[pentopyranosyl-(1->3)]hexopyranosyl]oxy}-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2h)-carboxylic acid;3,20-Dihydroxy-30-norolean-12-en-28-oic acid 3-O-(beta-xylopyranosyl(1-2)-alpha-arabinopyranosyl(1-3))-beta-glucopyranside;30-Norolean-12-en-28-oic acid, 3-((O-alpha-L-arabinopyranosyl-(1-3)-O-(beta-D-xylopyranosyl-(1-2))-beta-D-glucopyranosyl)oxy)-20-hydroxy-, (3beta,20alpha)-
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CAS No:
2-hydroxy-10-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid Basic Attributes
885.0 g/mol
884.47695082 g/mol
Drug Information
3,20-dihydroxy-30-norolean-12-en-28-oic acid 3-O-(beta-xylopyranosyl(1-2)-alpha-arabinopyranosyl(1-3))-beta-glucopyranside
Computed Properties
Molecular Weight:885.0
XLogP3:0.8
Hydrogen Bond Donor Count:10
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:8
Exact Mass:884.47695082
Monoisotopic Mass:884.47695082
Topological Polar Surface Area:275
Heavy Atom Count:62
Complexity:1700
Undefined Atom Stereocenter Count:22
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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