10-O-Coumaroyl-10-O-deacetylasperuloside
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10-O-Coumaroyl-10-O-deacetylasperuloside
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CAS No:
903519-82-4
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Formula:
C25H26O12
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Chemical Name:
10-O-Coumaroyl-10-O-deacetylasperuloside
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Synonyms:
10-O-Coumaroyl-10-O-deacetylasperuloside;[(4S,7S,8S,11S)-2-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.0^{4,11}]undeca-1(10),5-dien-6-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate;2-Propenoic acid, 3-(4-hydroxyphenyl)-, [(2aS,4aS,5S,7bS)-5-(β-D-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-1-oxo-1H-2,6-dioxacyclopent[cd]inden-4-yl]methyl ester, (2E)- (9CI)
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CAS No:
Computed Properties
Molecular Weight:518.5
XLogP3:-0.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:8
Exact Mass:518.14242626
Monoisotopic Mass:518.14242626
Topological Polar Surface Area:181
Heavy Atom Count:37
Complexity:967
Defined Atom Stereocenter Count:9
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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