1.0 2010-04-08 22:12:50 UTC 2025-11-19 01:52:04 UTC FDB017104 Quercetin 3-sophorotrioside Isolated from Pisum sativum (pea). Quercetin 3-sophorotrioside is found in pulses and common pea. Quercetin 3-sophorotrioside C33H40O22 788.6575 788.201122964 3-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one 3-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one 197250-97-8 OCC1OC(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)C(CO)OC2OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O InChI=1S/C33H40O22/c34-6-15-19(41)23(45)26(48)31(50-15)54-29-24(46)20(42)17(8-36)52-33(29)55-30-25(47)21(43)16(7-35)51-32(30)53-28-22(44)18-13(40)4-10(37)5-14(18)49-27(28)9-1-2-11(38)12(39)3-9/h1-5,15-17,19-21,23-26,29-43,45-48H,6-8H2 IQBMWEYFKNVACH-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 -0.88 ALOGPS logs -1.60 ALOGPS solubility 1.99e+01 g/l ALOGPS logp -3.7 ChemAxon pka_strongest_acidic 6.43 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)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(OC2C(O)C(O)C(CO)OC2OC2C(O)C(O)C(CO)OC2OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C33H40O22 ChemAxon inchi InChI=1S/C33H40O22/c34-6-15-19(41)23(45)26(48)31(50-15)54-29-24(46)20(42)17(8-36)52-33(29)55-30-25(47)21(43)16(7-35)51-32(30)53-28-22(44)18-13(40)4-10(37)5-14(18)49-27(28)9-1-2-11(38)12(39)3-9/h1-5,15-17,19-21,23-26,29-43,45-48H,6-8H2 ChemAxon inchikey IQBMWEYFKNVACH-UHFFFAOYSA-N ChemAxon polar_surface_area 364.9 ChemAxon refractivity 174.1 ChemAxon polarizability 73.81 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 22 ChemAxon donor_count 14 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 11516 Specdb::MsMs 11517 Specdb::MsMs 11518 Specdb::MsMs 18188 Specdb::MsMs 18189 Specdb::MsMs 18190 Specdb::MsMs 440514 Specdb::MsMs 452103 Specdb::MsMs 2332037 Specdb::MsMs 2332038 Specdb::MsMs 2332039 Specdb::MsMs 2630570 Specdb::MsMs 2630571 Specdb::MsMs 2630572 Specdb::CMs 786696 Specdb::CMs 786697 Specdb::CMs 786698 Specdb::CMs 786699 Specdb::CMs 786700 Specdb::CMs 786701 Specdb::CMs 786702 Specdb::CMs 786703 Specdb::CMs 786704 Specdb::CMs 786705 Specdb::CMs 786706 Specdb::CMs 786707 Specdb::CMs 786708 Specdb::CMs 786709 Specdb::NmrOneD 17362 Specdb::NmrOneD 17363 Specdb::NmrOneD 17364 Specdb::NmrOneD 17365 Specdb::NmrOneD 17366 Specdb::NmrOneD 17367 Specdb::NmrOneD 17368 Specdb::NmrOneD 17369 Specdb::NmrOneD 17370 Specdb::NmrOneD 17371 Specdb::NmrOneD 17372 Specdb::NmrOneD 17373 Specdb::NmrOneD 17374 Specdb::NmrOneD 17375 Specdb::NmrOneD 17376 Specdb::NmrOneD 17377 Specdb::NmrOneD 17378 Specdb::NmrOneD 17379 Specdb::NmrOneD 17380 Specdb::NmrOneD 17381 HMDB30414 #<Reference:0x000055ce31e0d5a8> Common pea Type 1 specific Pisum sativum 3888 Pulses Unknown generic