1.0 2010-04-08 22:12:50 UTC 2025-11-19 01:52:03 UTC FDB017102 Quercetin 3-(2G-rhamnosylgentiobioside) Isolated from soya bean leaves (Glycine max). Quercetin 3-(2G-rhamnosylgentiobioside) is found in soy bean and pulses. 3,3',4',5,7-Pentahydroxyflavone 3-O-[a-L-rhamnopyranosyl-(1->2)-[b-D-glucopyranosyl-(1->6)]-b-D-glucopyranoside] Quercetin 3-(2G-rhamnosylgentiobioside) Quercetin 3-O-[a-L-rhamnopyranosyl-(1->2)-[b-D-glucopyranosyl-(1->6)]-b-D-glucopyranoside] C33H40O21 772.6581 772.206208342 3-{[4,5-dihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one 3-{[4,5-dihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one 55780-29-5 CC1OC(OC2C(O)C(O)C(COC3OC(CO)C(O)C(O)C3O)OC2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O InChI=1S/C33H40O21/c1-9-19(39)23(43)27(47)32(49-9)54-30-25(45)21(41)17(8-48-31-26(46)24(44)20(40)16(7-34)51-31)52-33(30)53-29-22(42)18-14(38)5-11(35)6-15(18)50-28(29)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,30-41,43-47H,7-8H2,1H3 NRTALHZHXXNSOY-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 -0.54 ALOGPS logs -1.79 ALOGPS solubility 1.25e+01 g/l ALOGPS logp -2.6 ChemAxon pka_strongest_acidic 6.43 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3-{[4,5-dihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one ChemAxon average_mass 772.6581 ChemAxon mono_mass 772.206208342 ChemAxon smiles CC1OC(OC2C(O)C(O)C(COC3OC(CO)C(O)C(O)C3O)OC2OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C33H40O21 ChemAxon inchi InChI=1S/C33H40O21/c1-9-19(39)23(43)27(47)32(49-9)54-30-25(45)21(41)17(8-48-31-26(46)24(44)20(40)16(7-34)51-31)52-33(30)53-29-22(42)18-14(38)5-11(35)6-15(18)50-28(29)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,30-41,43-47H,7-8H2,1H3 ChemAxon inchikey NRTALHZHXXNSOY-UHFFFAOYSA-N ChemAxon polar_surface_area 344.67 ChemAxon refractivity 172.56 ChemAxon polarizability 73.11 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 21 ChemAxon donor_count 13 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 23722 Specdb::NmrOneD 23723 Specdb::NmrOneD 23724 Specdb::NmrOneD 23725 Specdb::NmrOneD 23726 Specdb::NmrOneD 23727 Specdb::NmrOneD 23728 Specdb::NmrOneD 23729 Specdb::NmrOneD 23730 Specdb::NmrOneD 23731 Specdb::NmrOneD 23732 Specdb::NmrOneD 23733 Specdb::NmrOneD 23734 Specdb::NmrOneD 23735 Specdb::NmrOneD 23736 Specdb::NmrOneD 23737 Specdb::NmrOneD 23738 Specdb::NmrOneD 23739 Specdb::NmrOneD 23740 Specdb::NmrOneD 23741 Specdb::CMs 783693 Specdb::CMs 783694 Specdb::CMs 783695 Specdb::CMs 783696 Specdb::CMs 783697 Specdb::CMs 783698 Specdb::CMs 783699 Specdb::CMs 783700 Specdb::CMs 783701 Specdb::CMs 783702 Specdb::CMs 783703 Specdb::CMs 783704 Specdb::CMs 783705 Specdb::CMs 783706 Specdb::CMs 783707 Specdb::CMs 783708 Specdb::CMs 783709 Specdb::CMs 783710 Specdb::CMs 783711 Specdb::CMs 783712 Specdb::CMs 783713 Specdb::CMs 783714 Specdb::CMs 783715 Specdb::CMs 783716 Specdb::CMs 783717 Specdb::MsMs 74253 Specdb::MsMs 74254 Specdb::MsMs 74255 Specdb::MsMs 133593 Specdb::MsMs 133594 Specdb::MsMs 133595 Specdb::MsMs 2743927 Specdb::MsMs 2743928 Specdb::MsMs 2743929 Specdb::MsMs 2934764 Specdb::MsMs 2934765 Specdb::MsMs 2934766 HMDB37936 #<Reference:0x000055ce31e1a708> Pulses Unknown generic Soy bean Type 1 specific Glycine max 3847