BRN 1277856
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BRN 1277856
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CAS No:
23604-99-1
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Formula:
C30H42O10
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Chemical Name:
BRN 1277856
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Synonyms:
Scillirubroside;23604-99-1;5-((3S,8S,9R,10R,13R,14R,17R)-8,14-dihydroxy-10,13-dimethyl-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2H-pyran-2-one;BRN 1277856;DTXSID70946426;5-[(3S,8S,9R,10R,13R,14R,17R)-8,14-dihydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,6,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one;3-(Hexopyranosyloxy)-8,14-dihydroxybufa-4,20,22-trienolide;Bufa-4,20,22-trienolide, 3-(beta-D-glucopyranosyloxy)-8,14-dihydroxy-, (3-beta)- (9CI)
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CAS No:
Computed Properties
Molecular Weight:562.6
XLogP3:0.1
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:4
Exact Mass:562.27779753
Monoisotopic Mass:562.27779753
Topological Polar Surface Area:166
Heavy Atom Count:40
Complexity:1130
Defined Atom Stereocenter Count:12
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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