1.0 2010-04-08 22:14:09 UTC 2025-11-19 02:16:59 UTC FDB019115 Kaempferol 3-xylosylglucoside Isolated from various plant subspecies including Armoracia species Kaempferol 3-xylosylglucoside is found in many foods, some of which are green bean, brassicas, horseradish, and yellow wax bean. 3,4',5,7-Tetrahydroxyflavone 3-xylosylglucoside Kaempferol 3-O-xylosyl-glucoside Kaempferol 3-xylosylglucoside C26H28O15 580.4915 580.142820226 3-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one 3-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 29322-07-4 OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O InChI=1S/C26H28O15/c27-7-14-17(31)21(35)25(39-14)37-8-15-18(32)20(34)22(36)26(40-15)41-24-19(33)16-12(30)5-11(29)6-13(16)38-23(24)9-1-3-10(28)4-2-9/h1-6,14-15,17-18,20-22,25-32,34-36H,7-8H2/t14-,15-,17+,18-,20+,21-,22-,25-,26+/m1/s1 XZTRGHMNLXAJPZ-DGBSRBSYSA-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 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Benzene and substituted derivatives Chromones Disaccharides Flavones Heteroaromatic compounds Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Tetrahydrofurans Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Disaccharide Flavone Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Polyol Primary alcohol Pyran Pyranone Secondary alcohol Tetrahydrofuran Vinylogous acid logp -0.18 ALOGPS logs -2.29 ALOGPS solubility 2.95e+00 g/l ALOGPS logp -0.98 ChemAxon pka_strongest_acidic 6.43 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 3-{[(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one ChemAxon average_mass 580.4915 ChemAxon mono_mass 580.142820226 ChemAxon smiles OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O ChemAxon formula C26H28O15 ChemAxon inchi InChI=1S/C26H28O15/c27-7-14-17(31)21(35)25(39-14)37-8-15-18(32)20(34)22(36)26(40-15)41-24-19(33)16-12(30)5-11(29)6-13(16)38-23(24)9-1-3-10(28)4-2-9/h1-6,14-15,17-18,20-22,25-32,34-36H,7-8H2/t14-,15-,17+,18-,20+,21-,22-,25-,26+/m1/s1 ChemAxon inchikey XZTRGHMNLXAJPZ-DGBSRBSYSA-N ChemAxon polar_surface_area 245.29 ChemAxon refractivity 133.75 ChemAxon polarizability 55.69 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 15 ChemAxon donor_count 9 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13959 Specdb::CMs 46441 Specdb::CMs 282543 Specdb::CMs 395066 Specdb::CMs 395067 Specdb::CMs 395068 Specdb::CMs 395069 Specdb::CMs 395070 Specdb::CMs 395071 Specdb::CMs 395072 Specdb::CMs 395073 Specdb::CMs 395074 Specdb::CMs 395075 Specdb::CMs 395076 Specdb::CMs 395077 Specdb::CMs 395078 Specdb::CMs 395079 Specdb::CMs 395080 Specdb::CMs 395081 Specdb::CMs 395082 Specdb::CMs 395083 Specdb::CMs 395084 Specdb::CMs 395085 Specdb::CMs 395086 Specdb::CMs 395087 Specdb::NmrOneD 33562 Specdb::NmrOneD 33563 Specdb::NmrOneD 33564 Specdb::NmrOneD 33565 Specdb::NmrOneD 33566 Specdb::NmrOneD 33567 Specdb::NmrOneD 33568 Specdb::NmrOneD 33569 Specdb::NmrOneD 33570 Specdb::NmrOneD 33571 Specdb::NmrOneD 33572 Specdb::NmrOneD 33573 Specdb::NmrOneD 33574 Specdb::NmrOneD 33575 Specdb::NmrOneD 33576 Specdb::NmrOneD 33577 Specdb::NmrOneD 33578 Specdb::NmrOneD 33579 Specdb::NmrOneD 33580 Specdb::NmrOneD 33581 Specdb::MsMs 74427 Specdb::MsMs 74428 Specdb::MsMs 74429 Specdb::MsMs 133812 Specdb::MsMs 133813 Specdb::MsMs 133814 Specdb::MsMs 2371393 Specdb::MsMs 2371394 Specdb::MsMs 2371395 Specdb::MsMs 2564268 Specdb::MsMs 2564269 Specdb::MsMs 2564270 HMDB39507 #<Reference:0x000055ce32cfa2a0> Brassicas Unknown generic 3705 Common bean Type 1 specific Phaseolus vulgaris 3885 7.545455 11.5 0.0 mg/100 g Green bean Type 1 specific Phaseolus vulgaris 3885 11.5 11.5 11.5 mg/100 g Horseradish Type 1 specific Armoracia rusticana 3704 Yellow wax bean Type 1 specific Phaseolus vulgaris 3885 11.5 11.5 11.5 mg/100 g