1.02010-04-08 22:04:26 UTC2019-11-26 02:54:31 UTCFDB0000853-Hydroxyphloretin 2'-O-xylosyl-glucoside3-hydroxyphloretin 2'-o-xylosyl-glucoside is a member of the class of compounds known as flavonoid o-glycosides. Flavonoid o-glycosides are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. 3-hydroxyphloretin 2'-o-xylosyl-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 3-hydroxyphloretin 2'-o-xylosyl-glucoside can be found in apple, which makes 3-hydroxyphloretin 2'-o-xylosyl-glucoside a potential biomarker for the consumption of this food product. C26H32O15584.5233584.1741203541-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)-3-(3,4-dihydroxyphenyl)propan-1-one1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)-3-(3,4-dihydroxyphenyl)propan-1-one[H][C@@]1(O)CO[C@@]([H])(OC[C@@]2([H])O[C@@]([H])(OC3=CC(O)=CC(O)=C3C(=O)CCC3=CC(O)=C(O)C=C3)[C@]([H])(O)[C@@]([H])(O)[C@]2([H])O)[C@]([H])(O)[C@@]1([H])OInChI=1S/C26H32O15/c27-11-6-15(31)19(13(29)4-2-10-1-3-12(28)14(30)5-10)17(7-11)40-26-24(37)22(35)21(34)18(41-26)9-39-25-23(36)20(33)16(32)8-38-25/h1,3,5-7,16,18,20-28,30-37H,2,4,8-9H2/t16-,18-,20+,21-,22+,23-,24-,25+,26-/m1/s1ILXISCCVBSLKSX-SUFHHTCNSA-N belongs to the class of organic compounds known as biflavonoids and polyflavonoids. These are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3'-C3''', and C6-C8''.Biflavonoids and polyflavonoidsOrganic compoundsPhenylpropanoids and polyketidesFlavonoidsBiflavonoids and polyflavonoidsAromatic heteropolycyclic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-hydroxyflavonoids4'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsAlkyl aryl ethersBenzene and substituted derivativesCatechinsCatecholsHexosesHydrocarbon derivativesKetalsO-glycosyl compoundsOxacyclic compoundsOxanesPolyolsPrimary alcoholsPyranochromenesPyranoflavonoidsSecondary alcohols1-benzopyran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoid4'-hydroxyflavonoid5-hydroxyflavonoid7-hydroxyflavonoidAcetalAlcoholAlkyl aryl etherAromatic heteropolycyclic compoundBenzenoidBenzopyranBi- and polyflavonoid skeletonCatechinCatecholChromaneEtherFlavanFlavan-3-olGlycosyl compoundHexose monosaccharideHydrocarbon derivativeHydroxyflavonoidKetalMonocyclic benzene moietyMonosaccharideO-glycosyl compoundOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleOxanePhenolPolyolPrimary alcoholPyranochromenePyranoflavonoidSecondary alcohollogp-0.35logs-2.33solubility2.75e+00 g/llogp-0.47pka_strongest_acidic7.86pka_strongest_basic-3.7iupac1-(2,4-dihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)-3-(3,4-dihydroxyphenyl)propan-1-oneaverage_mass584.5233mono_mass584.174120354smiles[H][C@@]1(O)CO[C@@]([H])(OC[C@@]2([H])O[C@@]([H])(OC3=CC(O)=CC(O)=C3C(=O)CCC3=CC(O)=C(O)C=C3)[C@]([H])(O)[C@@]([H])(O)[C@]2([H])O)[C@]([H])(O)[C@@]1([H])OformulaC26H32O15inchiInChI=1S/C26H32O15/c27-11-6-15(31)19(13(29)4-2-10-1-3-12(28)14(30)5-10)17(7-11)40-26-24(37)22(35)21(34)18(41-26)9-39-25-23(36)20(33)16(32)8-38-25/h1,3,5-7,16,18,20-28,30-37H,2,4,8-9H2/t16-,18-,20+,21-,22+,23-,24-,25+,26-/m1/s1inchikeyILXISCCVBSLKSX-SUFHHTCNSA-Npolar_surface_area256.29refractivity134.28polarizability55.87rotatable_bond_count9acceptor_count15donor_count10physiological_charge0formal_charge0Specdb::MsMs64194Specdb::MsMs64195Specdb::MsMs64196Specdb::MsMs121284Specdb::MsMs121285Specdb::MsMs121286Specdb::MsMs3596614Specdb::MsMs3596615Specdb::MsMs3596616Specdb::MsMs3596617Specdb::MsMs3596618Specdb::MsMs3596619AppleType 1specificMalus pumila2832100.00.00.0mg/100 g