1.0 2010-04-08 22:09:52 UTC 2019-11-26 03:05:37 UTC FDB011865 Naringin 4'-glucoside Isolated from grapefruit. Naringin 4'-glucoside is found in citrus. Naringenin 4'-glucoside 7-neohesperidoside Naringin 4'-glucoside C33H42O19 742.6752 742.232029162 7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,4-dihydro-2H-1-benzopyran-4-one naringin 4'-glucoside 17257-21-5 CC1OC(OC2C(O)C(O)C(CO)OC2OC2=CC(O)=C3C(=O)CC(OC3=C2)C2=CC=C(OC3OC(CO)C(O)C(O)C3O)C=C2)C(O)C(O)C1O InChI=1S/C33H42O19/c1-11-22(38)25(41)28(44)31(46-11)52-30-27(43)24(40)20(10-35)51-33(30)48-14-6-15(36)21-16(37)8-17(49-18(21)7-14)12-2-4-13(5-3-12)47-32-29(45)26(42)23(39)19(9-34)50-32/h2-7,11,17,19-20,22-36,38-45H,8-10H2,1H3 FHXACOPOJBXRQQ-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Flavonoid-7-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 Acetals Alkyl aryl ethers Aryl alkyl ketones Chromones Disaccharides Flavanones Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 5-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Chromane Chromone Disaccharide Ether Flavan Flavanone Flavonoid-7-o-glycoside Glycosyl compound Hydrocarbon derivative Hydroxyflavonoid Ketone Monocyclic benzene moiety O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Secondary alcohol Vinylogous acid Flavanones logp -0.92 ALOGPS logs -2.08 ALOGPS solubility 6.15e+00 g/l ALOGPS melting_point Mp 239° logp -2.4 ChemAxon pka_strongest_acidic 9.84 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 742.6752 ChemAxon mono_mass 742.232029162 ChemAxon smiles CC1OC(OC2C(O)C(O)C(CO)OC2OC2=CC(O)=C3C(=O)CC(OC3=C2)C2=CC=C(OC3OC(CO)C(O)C(O)C3O)C=C2)C(O)C(O)C1O ChemAxon formula C33H42O19 ChemAxon inchi InChI=1S/C33H42O19/c1-11-22(38)25(41)28(44)31(46-11)52-30-27(43)24(40)20(10-35)51-33(30)48-14-6-15(36)21-16(37)8-17(49-18(21)7-14)12-2-4-13(5-3-12)47-32-29(45)26(42)23(39)19(9-34)50-32/h2-7,11,17,19-20,22-36,38-45H,8-10H2,1H3 ChemAxon inchikey FHXACOPOJBXRQQ-UHFFFAOYSA-N ChemAxon polar_surface_area 304.21 ChemAxon refractivity 166.45 ChemAxon polarizability 73.48 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 19 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 772162 Specdb::CMs 772163 Specdb::CMs 772164 Specdb::CMs 772165 Specdb::CMs 772166 Specdb::CMs 772167 Specdb::CMs 772168 Specdb::CMs 772169 Specdb::CMs 772170 Specdb::CMs 772171 Specdb::CMs 772172 Specdb::CMs 772173 Specdb::CMs 772174 Specdb::CMs 772175 Specdb::CMs 772176 Specdb::CMs 772177 Specdb::CMs 772178 Specdb::CMs 772179 Specdb::CMs 772180 Specdb::CMs 772181 Specdb::CMs 772182 Specdb::CMs 772183 Specdb::CMs 772184 Specdb::CMs 772185 Specdb::CMs 772186 Specdb::NmrOneD 121878 Specdb::NmrOneD 121879 Specdb::NmrOneD 121880 Specdb::NmrOneD 121881 Specdb::NmrOneD 121882 Specdb::NmrOneD 121883 Specdb::NmrOneD 121884 Specdb::NmrOneD 121885 Specdb::NmrOneD 121886 Specdb::NmrOneD 121887 Specdb::NmrOneD 121888 Specdb::NmrOneD 121889 Specdb::NmrOneD 121890 Specdb::NmrOneD 121891 Specdb::NmrOneD 121892 Specdb::NmrOneD 121893 Specdb::NmrOneD 121894 Specdb::NmrOneD 121895 Specdb::NmrOneD 121896 Specdb::NmrOneD 121897 Specdb::MsMs 12440 Specdb::MsMs 12441 Specdb::MsMs 12442 Specdb::MsMs 19112 Specdb::MsMs 19113 Specdb::MsMs 19114 Specdb::MsMs 2734775 Specdb::MsMs 2734776 Specdb::MsMs 2734777 Specdb::MsMs 2974182 Specdb::MsMs 2974183 Specdb::MsMs 2974184 HMDB33738 #<Reference:0x000055ce325dadd0> Citrus Unknown generic