holothurin A2
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holothurin A2
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CAS No:
75410-53-6
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Formula:
C54H88NaO26S+
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Chemical Name:
holothurin A2
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Synonyms:
echinoside A;holothurin A2;Holothurin A2;Echinoside A;75410-53-6;(3beta,12alpha)-12,17,20-Trihydroxy-3-((O-3-O-methyl-beta-D-glucopyranosyl-(1-3)-O-beta-D-glucopyranosyl-(1-4)-O-6-deoxy-beta-D-glucopyranosyl-(1-2)-4-O-sulfo-beta-D-xylopyranosyl)-oxy)lanost-9(11)-en-18-oic acid gamma-lactone, monosodium salt;Lanost-9(11)-en-18-oic acid, 12,17,20-trihydroxy-3-((O-3-O-methyl-beta-D-glucopyranosyl-(1-3)-O-beta-D-glucopyranosyl-(1-4)-O-6-deoxy-beta-D-glucopyranosyl-(1-2)-4-O-sulfo-beta-D-xylopyranosyl)oxy)-, gamma-lactone, monosodium salt, (3beta,12alpha)-
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CAS No:
Computed Properties
Molecular Weight:1208.3
Hydrogen Bond Donor Count:12
Hydrogen Bond Acceptor Count:26
Rotatable Bond Count:17
Exact Mass:1207.51822336
Monoisotopic Mass:1207.51822336
Topological Polar Surface Area:404
Heavy Atom Count:82
Formal Charge:1
Complexity:2380
Undefined Atom Stereocenter Count:28
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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