3-[4-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxyphenyl]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
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![3-[4-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxyphenyl]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/1a7f7a95bf2747ce868a00699a23b4d4.png "3-[4-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxyphenyl]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one")
3-[4-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxyphenyl]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
structure -
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CAS No:
108069-01-8
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Formula:
C26H28O13
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Chemical Name:
3-[4-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxyphenyl]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
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Synonyms:
Daidzein 7-O-glucoside-4'-O-apioside;Neobanin;108069-01-8;(-)-Neobanin;DTXSID60910616;LMPK12050021;3-(4-{[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}phenyl)-4-oxo-4H-1-benzopyran-7-yl hexopyranoside;4H-1-Benzopyran-4-one, 3-(4-(D-apio-beta-D-furanosyloxy)phenyl)-7-(beta-D-glucopyranosyloxy)-
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CAS No:
3-[4-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxyphenyl]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one Basic Attributes
548.5 g/mol
548.15299094 g/mol
3-[4-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxyphenyl]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one Use and Manufacturing
Polyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
Computed Properties
Molecular Weight:548.5
XLogP3:-0.8
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:7
Exact Mass:548.15299094
Monoisotopic Mass:548.15299094
Topological Polar Surface Area:205
Heavy Atom Count:39
Complexity:891
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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