1.0 2010-04-08 22:12:35 UTC 2025-11-19 01:49:09 UTC FDB016688 Narirutin 4'-glucoside Isolated from grapefruit. Narirutin 4'-glucoside is found in citrus and grapefruit/pummelo hybrid. Naringenin 4'-glucoside 7-rutinoside Narirutin 4'-glucoside C33H42O19 742.68 742.232029132 5-hydroxy-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4-one 5-hydroxy-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-2,3-dihydro-1-benzopyran-4-one 17257-22-6 CC1OC(OCC2OC(OC3=CC4=C(C(=O)CC(O4)C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4)C(O)=C3)C(O)C(O)C2O)C(O)C(O)C1O InChI=1S/C33H42O19/c1-11-22(37)25(40)28(43)31(47-11)46-10-20-24(39)27(42)30(45)33(52-20)49-14-6-15(35)21-16(36)8-17(50-18(21)7-14)12-2-4-13(5-3-12)48-32-29(44)26(41)23(38)19(9-34)51-32/h2-7,11,17,19-20,22-35,37-45H,8-10H2,1H3 KQUWJUNIYQVHCG-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 logp -0.92 ALOGPS logs -2.17 ALOGPS solubility 5.04e+00 g/l ALOGPS melting_point Mp 189-200° logp -2.4 ChemAxon pka_strongest_acidic 8.64 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 5-hydroxy-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4-one ChemAxon average_mass 742.68 ChemAxon mono_mass 742.232029132 ChemAxon smiles CC1OC(OCC2OC(OC3=CC4=C(C(=O)CC(O4)C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4)C(O)=C3)C(O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C33H42O19 ChemAxon inchi InChI=1S/C33H42O19/c1-11-22(37)25(40)28(43)31(47-11)46-10-20-24(39)27(42)30(45)33(52-20)49-14-6-15(35)21-16(36)8-17(50-18(21)7-14)12-2-4-13(5-3-12)48-32-29(44)26(41)23(38)19(9-34)51-32/h2-7,11,17,19-20,22-35,37-45H,8-10H2,1H3 ChemAxon inchikey KQUWJUNIYQVHCG-UHFFFAOYSA-N ChemAxon polar_surface_area 304.21 ChemAxon refractivity 166.45 ChemAxon polarizability 72.86 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 19 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 51783 Specdb::MsMs 51784 Specdb::MsMs 51785 Specdb::MsMs 158157 Specdb::MsMs 158158 Specdb::MsMs 158159 Specdb::MsMs 2333264 Specdb::MsMs 2333265 Specdb::MsMs 2333266 Specdb::MsMs 2631956 Specdb::MsMs 2631957 Specdb::MsMs 2631958 Specdb::CMs 772239 Specdb::CMs 772240 Specdb::CMs 772241 Specdb::CMs 772242 Specdb::CMs 772243 Specdb::CMs 772244 Specdb::CMs 772245 Specdb::CMs 772246 Specdb::CMs 772247 Specdb::CMs 772248 Specdb::CMs 772249 Specdb::CMs 772250 Specdb::CMs 772251 Specdb::CMs 772252 Specdb::CMs 772253 Specdb::CMs 772254 Specdb::CMs 772255 Specdb::CMs 772256 Specdb::CMs 772257 Specdb::CMs 772258 Specdb::CMs 772259 Specdb::CMs 772260 Specdb::CMs 772261 Specdb::CMs 772262 Specdb::CMs 772263 Specdb::NmrOneD 22242 Specdb::NmrOneD 22243 Specdb::NmrOneD 22244 Specdb::NmrOneD 22245 Specdb::NmrOneD 22246 Specdb::NmrOneD 22247 Specdb::NmrOneD 22248 Specdb::NmrOneD 22249 Specdb::NmrOneD 22250 Specdb::NmrOneD 22251 Specdb::NmrOneD 22252 Specdb::NmrOneD 22253 Specdb::NmrOneD 22254 Specdb::NmrOneD 22255 Specdb::NmrOneD 22256 Specdb::NmrOneD 22257 Specdb::NmrOneD 22258 Specdb::NmrOneD 22259 Specdb::NmrOneD 22260 Specdb::NmrOneD 22261 HMDB37584 #<Reference:0x000055ce31652cc8> Citrus Unknown generic Grapefruit/Pummelo hybrid Type 1 specific Citrus paradisi X Citrus maxima 37656 1.233333 1.233333329 1.233333329 mg/100 g