Mirificin
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Mirificin
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CAS No:
103654-50-8
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Formula:
C26H28O13
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Chemical Name:
Mirificin
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Synonyms:
Mirificin;8-(6-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)-7-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;Puerarin apioside;8-[(2S,3R,4R,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]-7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one;Puerarin apioside,Mirificin;BCP10902;4H-1-Benzopyran-4-one,8-(6-O-D-apio-b-D-furanosyl-b-D-glucopyranosyl)-7-hydroxy-3-(4-hydroxyphenyl)-;4H-1-Benzopyran-4-one, 8-(6-O-D-apio-β-D-furanosyl-β-D-glucopyranosyl)-7-hydroxy-3-(4-hydroxyphenyl)-
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CAS No:
Description
Mirificin is a flavone C-glycoside that is 7,4'-dihydroxyflavone substituted by a 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]-beta-D-glucopyranosyl residue at position 8 via a C-glycosidic linkage. It has a role as a plant metabolite. It is a dihydroxyflavone and a flavone C-glycoside.
Characteristics
219.74000
-1.14900
1.73±0.1 g/cm3
151-152℃
848.0±65.0 °C(Predicted)
285.82ºC
1.749
0mmHg at 25°C
6.45±0.20
Computed Properties
Molecular Weight:548.5
XLogP3:-1.8
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:6
Exact Mass:548.15299094
Monoisotopic Mass:548.15299094
Topological Polar Surface Area:216
Heavy Atom Count:39
Complexity:906
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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