Specioside
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Specioside
structure -
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CAS No:
72514-90-0
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Formula:
C24H28O12
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Chemical Name:
Specioside
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Synonyms:
β-D-Glucopyranoside,(1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)-6-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl;β-D-Glucopyranoside,1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)-6-[[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl,[1aS-[1aα,1bβ,2β,5aβ,6β(E),6aα]]-;β-D-Glucopyranoside,(1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)-6-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl;(1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-Hexahydro-1a-(hydroxymethyl)-6-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl β-D-glucopyranoside;Specioside;(-)-Specioside;6-O-(E)-p-Coumaroylcatalpol
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CAS No:
Computed Properties
Molecular Weight:508.5
XLogP3:-0.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:8
Exact Mass:508.15807632
Monoisotopic Mass:508.15807632
Topological Polar Surface Area:188
Heavy Atom Count:36
Complexity:856
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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