113322-00-2
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113322-00-2
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CAS No:
113322-00-2
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Formula:
C64H106NaO32S+
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Chemical Name:
113322-00-2
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Synonyms:
Pectinioside C;113322-00-2;Stigmast-9(11)-en-23-one, 6-((O-6-deoxy-beta-D-galactopyranosyl-(1-3)-O-6-deoxy-beta-D-galactopyranosyl-(1-2)-O-beta-D-glucopyranosyl-(1-4)-O-(6-deoxy-beta-D-glucopyranosyl-(1-2))-O-beta-D-xylopyranosyl-(1-3)-6-deoxy-beta-D-glucopyranosyl)oxy)-20-hydroxy-3-(sulfooxy)-, monosodium salt, (3beta,5alpha,6alpha)-
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CAS No:
Computed Properties
Molecular Weight:1442.6
Hydrogen Bond Donor Count:16
Hydrogen Bond Acceptor Count:32
Rotatable Bond Count:21
Exact Mass:1441.6285617
Monoisotopic Mass:1441.6285617
Topological Polar Surface Area:503
Heavy Atom Count:98
Formal Charge:1
Complexity:2790
Undefined Atom Stereocenter Count:39
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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