1.0 2010-04-08 22:15:38 UTC 2025-11-19 02:37:00 UTC FDB021357 Quercetin 3-(2Gal-apiosylrobinobioside) Constituent of ca~nihua (Chenopodium pallidicaule) flour. Quercetin 3-(2Gal-apiosylrobinobioside) is found in cereals and cereal products. Quercetin 3-(2Gal-apiosylrobinobioside) C32H38O20 742.6321 742.195643656 3-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one 3-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one 165880-62-6 CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C(OC3OCC(O)(CO)C3O)C(O)C2O)C(O)C(O)C1O InChI=1S/C32H38O20/c1-10-19(38)22(41)24(43)29(48-10)46-7-17-20(39)23(42)27(52-31-28(44)32(45,8-33)9-47-31)30(50-17)51-26-21(40)18-15(37)5-12(34)6-16(18)49-25(26)11-2-3-13(35)14(36)4-11/h2-6,10,17,19-20,22-24,27-31,33-39,41-45H,7-9H2,1H3 UPVDFUGORYNXMW-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 Tertiary alcohols Tetrahydrofurans 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 Tertiary alcohol Tetrahydrofuran Vinylogous acid logp -0.39 ALOGPS logs -2.00 ALOGPS solubility 7.42e+00 g/l ALOGPS logp -2.1 ChemAxon pka_strongest_acidic 6.43 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one ChemAxon average_mass 742.6321 ChemAxon mono_mass 742.195643656 ChemAxon smiles CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C(OC3OCC(O)(CO)C3O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C32H38O20 ChemAxon inchi InChI=1S/C32H38O20/c1-10-19(38)22(41)24(43)29(48-10)46-7-17-20(39)23(42)27(52-31-28(44)32(45,8-33)9-47-31)30(50-17)51-26-21(40)18-15(37)5-12(34)6-16(18)49-25(26)11-2-3-13(35)14(36)4-11/h2-6,10,17,19-20,22-24,27-31,33-39,41-45H,7-9H2,1H3 ChemAxon inchikey UPVDFUGORYNXMW-UHFFFAOYSA-N ChemAxon polar_surface_area 324.44 ChemAxon refractivity 166.82 ChemAxon polarizability 70.25 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 20 ChemAxon donor_count 12 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 9968 Specdb::MsMs 9969 Specdb::MsMs 9970 Specdb::MsMs 11546 Specdb::MsMs 11547 Specdb::MsMs 11548 Specdb::MsMs 16640 Specdb::MsMs 16641 Specdb::MsMs 16642 Specdb::MsMs 18218 Specdb::MsMs 18219 Specdb::MsMs 18220 Specdb::MsMs 2425384 Specdb::MsMs 2425385 Specdb::MsMs 2425386 Specdb::MsMs 2510374 Specdb::MsMs 2510375 Specdb::MsMs 2510376 Specdb::CMs 772007 Specdb::CMs 772008 Specdb::CMs 772009 Specdb::CMs 772010 Specdb::CMs 772011 Specdb::CMs 772012 Specdb::CMs 772013 Specdb::CMs 772014 Specdb::CMs 772015 Specdb::CMs 772016 Specdb::CMs 772017 Specdb::CMs 772018 Specdb::CMs 772019 Specdb::CMs 772020 Specdb::CMs 772021 Specdb::CMs 772022 Specdb::CMs 772023 Specdb::CMs 772024 Specdb::CMs 772025 Specdb::CMs 772026 Specdb::CMs 772027 Specdb::CMs 772028 Specdb::CMs 772029 Specdb::CMs 772030 Specdb::CMs 772031 Specdb::NmrOneD 46622 Specdb::NmrOneD 46623 Specdb::NmrOneD 46624 Specdb::NmrOneD 46625 Specdb::NmrOneD 46626 Specdb::NmrOneD 46627 Specdb::NmrOneD 46628 Specdb::NmrOneD 46629 Specdb::NmrOneD 46630 Specdb::NmrOneD 46631 Specdb::NmrOneD 46632 Specdb::NmrOneD 46633 Specdb::NmrOneD 46634 Specdb::NmrOneD 46635 Specdb::NmrOneD 46636 Specdb::NmrOneD 46637 Specdb::NmrOneD 46638 Specdb::NmrOneD 46639 Specdb::NmrOneD 46640 Specdb::NmrOneD 46641 HMDB41412 #<Reference:0x000055ce32b448c0> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic