1.0 2010-04-08 22:06:42 UTC 2019-11-26 03:00:35 UTC FDB005458 Apigenin 6-C-glucosyl-8-C-arabinoside Apigenin 6-c-glucosyl-8-c-arabinoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Apigenin 6-c-glucosyl-8-c-arabinoside can be found in fig, which makes apigenin 6-c-glucosyl-8-c-arabinoside a potential biomarker for the consumption of this food product. APIGENIN-4,6-C-GLUCOSYL-8-C-ARABINOSIDE C32H38O19 726.6327 726.200729034 8-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,7-dihydroxy-6-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one 8-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,7-dihydroxy-6-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-4-one 71-30-7 OC[C@H]1OC([C@@H](O)[C@@H]1O)C1=C(O)C(C2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(O)C2=C1OC(=CC2=O)C1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1 InChI=1S/C32H38O19/c33-6-13-19(37)24(42)27(45)30(49-13)17-22(40)16-11(36)5-12(48-29(16)18(23(17)41)31-26(44)21(39)14(7-34)50-31)9-1-3-10(4-2-9)47-32-28(46)25(43)20(38)15(8-35)51-32/h1-5,13-15,19-21,24-28,30-35,37-46H,6-8H2/t13-,14-,15-,19-,20-,21-,24+,25+,26+,27-,28-,30?,31?,32-/m1/s1 LXRDQACNDLNSQJ-RCNVSCNCSA-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 -1.11 ALOGPS logs -1.84 ALOGPS solubility 1.05e+01 g/l ALOGPS logp -4.4 ChemAxon pka_strongest_acidic 5.76 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 8-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,7-dihydroxy-6-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one ChemAxon average_mass 726.6327 ChemAxon mono_mass 726.200729034 ChemAxon smiles OC[C@H]1OC([C@@H](O)[C@@H]1O)C1=C(O)C(C2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(O)C2=C1OC(=CC2=O)C1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1 ChemAxon formula C32H38O19 ChemAxon inchi InChI=1S/C32H38O19/c33-6-13-19(37)24(42)27(45)30(49-13)17-22(40)16-11(36)5-12(48-29(16)18(23(17)41)31-26(44)21(39)14(7-34)50-31)9-1-3-10(4-2-9)47-32-28(46)25(43)20(38)15(8-35)51-32/h1-5,13-15,19-21,24-28,30-35,37-46H,6-8H2/t13-,14-,15-,19-,20-,21-,24+,25+,26+,27-,28-,30?,31?,32-/m1/s1 ChemAxon inchikey LXRDQACNDLNSQJ-RCNVSCNCSA-N ChemAxon polar_surface_area 326.21 ChemAxon refractivity 165.33 ChemAxon polarizability 70.57 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 19 ChemAxon donor_count 13 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 75711 Specdb::MsMs 75712 Specdb::MsMs 75713 Specdb::MsMs 135402 Specdb::MsMs 135403 Specdb::MsMs 135404 Specdb::MsMs 3601811 Specdb::MsMs 3601812 Specdb::MsMs 3601813 Specdb::MsMs 3601814 Specdb::MsMs 3601815 Specdb::MsMs 3601816 Fig Type 1 specific Ficus carica 3494