1-[3-(α-D-Glucopyranosyloxy)-2,4,6-trihydroxyphenyl]-3-(4-hydroxyphenyl)-2-propen-1-one
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![1-[3-(α-D-Glucopyranosyloxy)-2,4,6-trihydroxyphenyl]-3-(4-hydroxyphenyl)-2-propen-1-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9bde3446bd694199bc60afe7428a3257.png "1-[3-(α-D-Glucopyranosyloxy)-2,4,6-trihydroxyphenyl]-3-(4-hydroxyphenyl)-2-propen-1-one")
1-[3-(α-D-Glucopyranosyloxy)-2,4,6-trihydroxyphenyl]-3-(4-hydroxyphenyl)-2-propen-1-one
structure -
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CAS No:
519-39-1
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Formula:
C21H22O11
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Chemical Name:
1-[3-(α-D-Glucopyranosyloxy)-2,4,6-trihydroxyphenyl]-3-(4-hydroxyphenyl)-2-propen-1-one
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Synonyms:
2-Propen-1-one,1-[3-(α-D-glucopyranosyloxy)-2,4,6-trihydroxyphenyl]-3-(4-hydroxyphenyl)-;Isocarthamin;1-[3-(α-D-Glucopyranosyloxy)-2,4,6-trihydroxyphenyl]-3-(4-hydroxyphenyl)-2-propen-1-one
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CAS No:
1-[3-(α-D-Glucopyranosyloxy)-2,4,6-trihydroxyphenyl]-3-(4-hydroxyphenyl)-2-propen-1-one Basic Attributes
450.39278
450.39
Computed Properties
Molecular Weight:450.4
XLogP3:0.7
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:6
Exact Mass:450.11621151
Monoisotopic Mass:450.11621151
Topological Polar Surface Area:197
Heavy Atom Count:32
Complexity:650
Defined Atom Stereocenter Count:5
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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