2-(hydroxymethyl)-6-[(17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl)oxy]oxane-3,4,5-triol
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![2-(hydroxymethyl)-6-[(17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl)oxy]oxane-3,4,5-triol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1b250fd301c64dd399922ff33f1b21f5.png "2-(hydroxymethyl)-6-[(17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl)oxy]oxane-3,4,5-triol")
2-(hydroxymethyl)-6-[(17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl)oxy]oxane-3,4,5-triol
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CAS No:
24703-07-9
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Formula:
C24H34O7
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Chemical Name:
2-(hydroxymethyl)-6-[(17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl)oxy]oxane-3,4,5-triol
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Synonyms:
17alpha-Estradiol-3-glucoside; 17-hydroxyestra-1,3,5(10)-trien-3-yl hexopyranoside; Estradiol-3-glucoside; 17beta-Estradiol-3-glucoside;
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CAS No:
2-(hydroxymethyl)-6-[(17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl)oxy]oxane-3,4,5-triol Basic Attributes
434.52300
434.23045342 g/mol
Computed Properties
Molecular Weight:434.5
XLogP3:0.9
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:434.23045342
Monoisotopic Mass:434.23045342
Topological Polar Surface Area:120
Heavy Atom Count:31
Complexity:645
Undefined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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