1.0 2010-04-08 22:12:50 UTC 2025-11-19 01:52:03 UTC FDB017103 Quercetin 3-(2G-glucosylgentiobioside) Isolated from soya bean leaves (Glycine max). Quercetin 3-(2G-glucosylgentiobioside) is found in soy bean and pulses. 3,3',4',5,7-Pentahydroxyflavone 3-O-[b-D-glucopyranosyl-(1->2)-[b-D-glucopyranosyl-(1->6)]-b-D-glucopyranoside] Quercetin 3-(2G-glucosylgentiobioside) Quercetin 3-O-[b-D-glucopyranosyl-(1->2)-[b-D-glucopyranosyl-(1->6)]-b-D-glucopyranoside] C33H40O22 788.6575 788.201122964 3-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one 3-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one 55696-56-5 OCC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O InChI=1S/C33H40O22/c34-6-15-19(40)23(44)26(47)31(51-15)49-8-17-21(42)25(46)30(55-32-27(48)24(45)20(41)16(7-35)52-32)33(53-17)54-29-22(43)18-13(39)4-10(36)5-14(18)50-28(29)9-1-2-11(37)12(38)3-9/h1-5,15-17,19-21,23-27,30-42,44-48H,6-8H2 QSUCYXFFQLQGKE-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Flavonoid-3-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Benzene and substituted derivatives Catechols Chromones Flavones Heteroaromatic compounds Hydrocarbon derivatives O-glycosyl compounds Oligosaccharides Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Catechol Chromone Flavone Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety O-glycosyl compound Oligosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid logp -0.95 ALOGPS logs -1.66 ALOGPS solubility 1.74e+01 g/l ALOGPS logp -3.7 ChemAxon pka_strongest_acidic 6.43 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one ChemAxon average_mass 788.6575 ChemAxon mono_mass 788.201122964 ChemAxon smiles OCC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C33H40O22 ChemAxon inchi InChI=1S/C33H40O22/c34-6-15-19(40)23(44)26(47)31(51-15)49-8-17-21(42)25(46)30(55-32-27(48)24(45)20(41)16(7-35)52-32)33(53-17)54-29-22(43)18-13(39)4-10(36)5-14(18)50-28(29)9-1-2-11(37)12(38)3-9/h1-5,15-17,19-21,23-27,30-42,44-48H,6-8H2 ChemAxon inchikey QSUCYXFFQLQGKE-UHFFFAOYSA-N ChemAxon polar_surface_area 364.9 ChemAxon refractivity 174.1 ChemAxon polarizability 73.99 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 22 ChemAxon donor_count 14 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 23742 Specdb::NmrOneD 23743 Specdb::NmrOneD 23744 Specdb::NmrOneD 23745 Specdb::NmrOneD 23746 Specdb::NmrOneD 23747 Specdb::NmrOneD 23748 Specdb::NmrOneD 23749 Specdb::NmrOneD 23750 Specdb::NmrOneD 23751 Specdb::NmrOneD 23752 Specdb::NmrOneD 23753 Specdb::NmrOneD 23754 Specdb::NmrOneD 23755 Specdb::NmrOneD 23756 Specdb::NmrOneD 23757 Specdb::NmrOneD 23758 Specdb::NmrOneD 23759 Specdb::NmrOneD 23760 Specdb::NmrOneD 23761 Specdb::MsMs 51750 Specdb::MsMs 51751 Specdb::MsMs 51752 Specdb::MsMs 159252 Specdb::MsMs 159253 Specdb::MsMs 159254 Specdb::MsMs 2277419 Specdb::MsMs 2277420 Specdb::MsMs 2277421 Specdb::MsMs 3088486 Specdb::MsMs 3088487 Specdb::MsMs 3088488 Specdb::CMs 786737 Specdb::CMs 786738 Specdb::CMs 786739 Specdb::CMs 786740 Specdb::CMs 786741 Specdb::CMs 786742 Specdb::CMs 786743 Specdb::CMs 786744 Specdb::CMs 786745 Specdb::CMs 786746 Specdb::CMs 786747 Specdb::CMs 786748 Specdb::CMs 786749 Specdb::CMs 786750 HMDB37937 #<Reference:0x000055ce30a9cb90> Pulses Unknown generic Soy bean Type 1 specific Glycine max 3847