17beta-(3'-Thiophenyl)-5beta-androstane-3beta,14beta-diol 3-D-glucopyranoside
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17beta-(3'-Thiophenyl)-5beta-androstane-3beta,14beta-diol 3-D-glucopyranoside
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CAS No:
131073-99-9
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Formula:
C31H46O7S
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Chemical Name:
17beta-(3'-Thiophenyl)-5beta-androstane-3beta,14beta-diol 3-D-glucopyranoside
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Synonyms:
17 beta-(3'-thiophenyl)-5 beta-androstane-3 beta,14 beta-diol 3-D-glucopyranoside;17-(3'-thiophenyl)androstane-3,14-diol 3-glucopyranoside;17-TADG;131073-99-9;17-TADG;17-(3'-Thiophenyl)androstane-3,14-diol 3-glucopyranoside;DTXSID20927063;17beta-(3'-Thiophenyl)-5beta-androstane-3beta,14beta-diol 3-D-glucopyranoside;3-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]cyclohexa-2,4-diene-1-thione;14-Hydroxy-17-(3-sulfanylidenecyclohexa-1,5-dien-1-yl)androstan-3-yl hexopyranoside
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CAS No:
17beta-(3'-Thiophenyl)-5beta-androstane-3beta,14beta-diol 3-D-glucopyranoside Basic Attributes
562.8 g/mol
562.29642498 g/mol
Computed Properties
Molecular Weight:562.8
XLogP3:3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:562.29642498
Monoisotopic Mass:562.29642498
Topological Polar Surface Area:152
Heavy Atom Count:39
Complexity:1030
Defined Atom Stereocenter Count:12
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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