1.0 2010-04-08 22:06:42 UTC 2019-11-26 03:00:35 UTC FDB005457 Apigenin 6-C-arabinosyl-8-C-glucoside Apigenin 6-c-arabinosyl-8-c-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Apigenin 6-c-arabinosyl-8-c-glucoside can be found in fig, which makes apigenin 6-c-arabinosyl-8-c-glucoside a potential biomarker for the consumption of this food product. APIGENIN-4,6-ARABINOSYL-8-C-GLUCOSIDE C31H36O18 696.6067 696.190164348 6-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(4-{[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}phenyl)-5,7-dihydroxy-8-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one 6-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(4-{[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}phenyl)-5,7-dihydroxy-8-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one 71-30-7 OC[C@H]1O[C@@H](OC2=CC=C(C=C2)C2=CC(=O)C3=C(O2)C(C2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(O)C(C2O[C@H](CO)[C@@H](O)[C@@H]2O)=C3O)[C@@H](O)[C@@H]1O InChI=1S/C31H36O18/c32-6-13-19(36)24(41)26(43)30(48-13)18-23(40)17(29-25(42)20(37)14(7-33)47-29)22(39)16-11(35)5-12(46-28(16)18)9-1-3-10(4-2-9)45-31-27(44)21(38)15(8-34)49-31/h1-5,13-15,19-21,24-27,29-34,36-44H,6-8H2/t13-,14-,15-,19-,20-,21-,24+,25+,26-,27+,29?,30?,31-/m1/s1 UNUHPRIQUMNECB-AJWCUTEPSA-N belongs to the class of organic 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. Flavonoid O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals C-glycosyl compounds Chromones Dialkyl ethers Flavones Flavonoid 8-C-glycosides Heteroaromatic compounds Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Tetrahydrofurans Vinylogous acids 1-benzopyran 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran C-glycosyl compound Chromone Dialkyl ether Ether Flavone Flavonoid c-glycoside Flavonoid o-glycoside Flavonoid-4p-o-glycoside Flavonoid-8-c-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Pyran Pyranone Secondary alcohol Tetrahydrofuran Vinylogous acid logp -0.92 ALOGPS logs -1.94 ALOGPS solubility 8.01e+00 g/l ALOGPS logp -3.8 ChemAxon pka_strongest_acidic 5.76 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 6-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(4-{[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}phenyl)-5,7-dihydroxy-8-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one ChemAxon average_mass 696.6067 ChemAxon mono_mass 696.190164348 ChemAxon smiles OC[C@H]1O[C@@H](OC2=CC=C(C=C2)C2=CC(=O)C3=C(O2)C(C2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(O)C(C2O[C@H](CO)[C@@H](O)[C@@H]2O)=C3O)[C@@H](O)[C@@H]1O ChemAxon formula C31H36O18 ChemAxon inchi InChI=1S/C31H36O18/c32-6-13-19(36)24(41)26(43)30(48-13)18-23(40)17(29-25(42)20(37)14(7-33)47-29)22(39)16-11(35)5-12(46-28(16)18)9-1-3-10(4-2-9)45-31-27(44)21(38)15(8-34)49-31/h1-5,13-15,19-21,24-27,29-34,36-44H,6-8H2/t13-,14-,15-,19-,20-,21-,24+,25+,26-,27+,29?,30?,31-/m1/s1 ChemAxon inchikey UNUHPRIQUMNECB-AJWCUTEPSA-N ChemAxon polar_surface_area 305.98 ChemAxon refractivity 159.37 ChemAxon polarizability 67.75 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 18 ChemAxon donor_count 12 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 99879 Specdb::MsMs 99880 Specdb::MsMs 99881 Specdb::MsMs 165087 Specdb::MsMs 165088 Specdb::MsMs 165089 Specdb::MsMs 3601808 Specdb::MsMs 3601809 Specdb::MsMs 3601810 Specdb::MsMs 3602609 Specdb::MsMs 3602610 Specdb::MsMs 3602611 Fig Type 1 specific Ficus carica 3494