Sulfoglucobrassicin
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Sulfoglucobrassicin
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CAS No:
29702-28-1
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Formula:
C16H20N2O12S3
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Chemical Name:
Sulfoglucobrassicin
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Synonyms:
β-D-Glucopyranose,1-thio-,1-[1-sulfo-N-(sulfooxy)-1H-indole-3-ethanimidate];Glucopyranose,1-thio-,1-(1-sulfoindole-3-acetohydroximate) NO-(hydrogen sulfate),β-D-;1-Sulfo-3-indolylmethylglucosinolate;Glucobrassicin 1-sulfonate;Sulfoglucobrassicin;34381-48-1
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CAS No:
Computed Properties
Molecular Weight:528.5
XLogP3:-1
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:8
Exact Mass:528.01783760
Monoisotopic Mass:528.01783760
Topological Polar Surface Area:268
Heavy Atom Count:33
Complexity:918
Defined Atom Stereocenter Count:5
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of Sulfoglucobrassicin
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