3-[4-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxyphenyl]-5-hydroxy-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]-5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f7fd4d5d29804684a964aa69dfdaa71c.png "3-[4-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxyphenyl]-5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one")
3-[4-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxyphenyl]-5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
structure -
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CAS No:
108069-00-7
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Formula:
C26H28O14
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Chemical Name:
3-[4-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxyphenyl]-5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
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Synonyms:
Genistein 7-O-glucoside-4'-O-apioside; Neobacin;
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CAS No:
3-[4-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxyphenyl]-5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one Basic Attributes
564.49200
564.14790556
3-[4-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxyphenyl]-5-hydroxy-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:564.5
XLogP3:-0.6
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:7
Exact Mass:564.14790556
Monoisotopic Mass:564.14790556
Topological Polar Surface Area:225
Heavy Atom Count:40
Complexity:923
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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