1.0 2010-04-08 22:12:24 UTC 2025-11-19 01:46:46 UTC FDB016395 Quercetin 3-glucoside 7-xyloside Isolated from Rubus subspecies and Fragaria species Quercetin 3-glucoside 7-xyloside is found in fruits. Quercetin-3-glucoside 7-xyloside C26H28O16 596.4909 596.137734848 2-(3,4-dihydroxyphenyl)-5-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]-4H-chromen-4-one 2-(3,4-dihydroxyphenyl)-5-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]chromen-4-one 79592-61-3 OCC1OC(OC2=C(OC3=CC(OC4OCC(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O InChI=1S/C26H28O16/c27-6-15-18(33)20(35)22(37)26(41-15)42-24-19(34)16-12(30)4-9(39-25-21(36)17(32)13(31)7-38-25)5-14(16)40-23(24)8-1-2-10(28)11(29)3-8/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2 PSTSYYSBVQVSOG-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 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Acetals Benzene and substituted derivatives Catechols Chromones Flavones Flavonoid-3-O-glycosides Heteroaromatic compounds Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides 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 Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Catechol Chromone Flavone Flavonoid-3-o-glycoside Flavonoid-7-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid logp -0.58 ALOGPS logs -2.21 ALOGPS solubility 3.65e+00 g/l ALOGPS logp -1.8 ChemAxon pka_strongest_acidic 8.11 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-(3,4-dihydroxyphenyl)-5-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-[(3,4,5-trihydroxyoxan-2-yl)oxy]-4H-chromen-4-one ChemAxon average_mass 596.4909 ChemAxon mono_mass 596.137734848 ChemAxon smiles OCC1OC(OC2=C(OC3=CC(OC4OCC(O)C(O)C4O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C26H28O16 ChemAxon inchi InChI=1S/C26H28O16/c27-6-15-18(33)20(35)22(37)26(41-15)42-24-19(34)16-12(30)4-9(39-25-21(36)17(32)13(31)7-38-25)5-14(16)40-23(24)8-1-2-10(28)11(29)3-8/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2 ChemAxon inchikey PSTSYYSBVQVSOG-UHFFFAOYSA-N ChemAxon polar_surface_area 265.52 ChemAxon refractivity 135.46 ChemAxon polarizability 56.37 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 16 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 45345 Specdb::CMs 64198 Specdb::CMs 283057 Specdb::CMs 450017 Specdb::CMs 450018 Specdb::CMs 450019 Specdb::CMs 450020 Specdb::CMs 450021 Specdb::CMs 450022 Specdb::CMs 450023 Specdb::CMs 450024 Specdb::CMs 450025 Specdb::CMs 450026 Specdb::CMs 450027 Specdb::CMs 450028 Specdb::CMs 450029 Specdb::CMs 450030 Specdb::CMs 450031 Specdb::CMs 450032 Specdb::CMs 450033 Specdb::CMs 450034 Specdb::CMs 450035 Specdb::CMs 450036 Specdb::CMs 450037 Specdb::CMs 450038 Specdb::MsMs 101907 Specdb::MsMs 101908 Specdb::MsMs 101909 Specdb::MsMs 167598 Specdb::MsMs 167599 Specdb::MsMs 167600 Specdb::MsMs 2757822 Specdb::MsMs 2757823 Specdb::MsMs 2757824 Specdb::MsMs 2948463 Specdb::MsMs 2948464 Specdb::MsMs 2948465 Specdb::NmrOneD 140350 Specdb::NmrOneD 140351 Specdb::NmrOneD 140352 Specdb::NmrOneD 140353 Specdb::NmrOneD 140354 Specdb::NmrOneD 140355 Specdb::NmrOneD 140356 Specdb::NmrOneD 140357 Specdb::NmrOneD 140358 Specdb::NmrOneD 140359 Specdb::NmrOneD 140360 Specdb::NmrOneD 140361 Specdb::NmrOneD 140362 Specdb::NmrOneD 140363 Specdb::NmrOneD 140364 Specdb::NmrOneD 140365 Specdb::NmrOneD 140366 Specdb::NmrOneD 140367 Specdb::NmrOneD 140368 Specdb::NmrOneD 140369 HMDB37364 #<Reference:0x000055ce30732c70> Fruits Unknown generic