1.0 2011-03-17 23:27:21 UTC 2018-05-29 01:52:12 UTC FDB021700 Apigenin 4'-glucoside Constituent of many plant subspecies [CCD] 4'-O-b-D-Glucopyranoside 4',5,7-Trihydroxyflavone; 4'-O-b-D-Glucopyranoside Apigenin 4'-glucoside Apigenin 4'-O-glucoside C21H20O10 432.381 432.105646844 5,7-dihydroxy-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one 5,7-dihydroxy-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)chromen-4-one 20486-34-4 OCC1OC(OC2=CC=C(C=C2)C2=CC(=O)C3=C(O)C=C(O)C=C3O2)C(O)C(O)C1O InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-3-1-9(2-4-11)14-7-13(25)17-12(24)5-10(23)6-15(17)30-14/h1-7,16,18-24,26-28H,8H2 ICLVCWSZHUZEFT-UHFFFAOYSA-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 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Chromones Flavones Heteroaromatic compounds Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Flavone Flavonoid o-glycoside Flavonoid-4p-o-glycoside Glycosyl compound Heteroaromatic compound Hexose monosaccharide 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 Vinylogous acid logp 0.80 ALOGPS logs -2.77 ALOGPS solubility 7.37e-01 g/l ALOGPS melting_point Mp 234-235? logp 0.44 ChemAxon pka_strongest_acidic 6.58 ChemAxon pka_strongest_basic -3 ChemAxon iupac 5,7-dihydroxy-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one ChemAxon average_mass 432.381 ChemAxon mono_mass 432.105646844 ChemAxon smiles OCC1OC(OC2=CC=C(C=C2)C2=CC(=O)C3=C(O)C=C(O)C=C3O2)C(O)C(O)C1O ChemAxon formula C21H20O10 ChemAxon inchi InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-3-1-9(2-4-11)14-7-13(25)17-12(24)5-10(23)6-15(17)30-14/h1-7,16,18-24,26-28H,8H2 ChemAxon inchikey ICLVCWSZHUZEFT-UHFFFAOYSA-N ChemAxon polar_surface_area 166.14 ChemAxon refractivity 105.06 ChemAxon polarizability 42.44 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25059 Specdb::CMs 47400 Specdb::MsMs 321526 Specdb::MsMs 321527 Specdb::MsMs 321528 Specdb::MsMs 369172 Specdb::MsMs 369173 Specdb::MsMs 369174 HMDB41591 #<Reference:0x000055ce325a9000>