1.0 2010-04-08 22:12:32 UTC 2025-11-19 01:48:44 UTC FDB016618 Quercetin 3-lathyroside Isolated from horseradish (Armoracia rusticana) leaves. Quercetin 3-lathyroside is found in horseradish and brassicas. Quercetin 3-lathyroside C26H28O16 596.4909 596.137734848 3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one 3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one 83144-69-8 OCC1OC(OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2 NKFZLEYLWAFYEH-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 Disaccharides Flavones Heteroaromatic compounds Hydrocarbon derivatives O-glycosyl compounds 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 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 Vinylogous acid logp -0.23 ALOGPS logs -2.04 ALOGPS solubility 5.44e+00 g/l ALOGPS logp -1.3 ChemAxon pka_strongest_acidic 6.43 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one ChemAxon average_mass 596.4909 ChemAxon mono_mass 596.137734848 ChemAxon smiles OCC1OC(OC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C(O)=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O ChemAxon formula C26H28O16 ChemAxon inchi InChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2 ChemAxon inchikey NKFZLEYLWAFYEH-UHFFFAOYSA-N ChemAxon polar_surface_area 265.52 ChemAxon refractivity 135.73 ChemAxon polarizability 55.61 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 16 ChemAxon donor_count 10 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26533 Specdb::CMs 45447 Specdb::CMs 283058 Specdb::CMs 450456 Specdb::CMs 450457 Specdb::CMs 450458 Specdb::CMs 450459 Specdb::CMs 450460 Specdb::CMs 450461 Specdb::CMs 450462 Specdb::CMs 450463 Specdb::CMs 450464 Specdb::CMs 450465 Specdb::CMs 450466 Specdb::CMs 450467 Specdb::CMs 450468 Specdb::CMs 450469 Specdb::CMs 450470 Specdb::CMs 450471 Specdb::CMs 450472 Specdb::CMs 450473 Specdb::CMs 450474 Specdb::CMs 450475 Specdb::CMs 450476 Specdb::CMs 450477 Specdb::MsMs 7733 Specdb::MsMs 7734 Specdb::MsMs 7735 Specdb::MsMs 8351 Specdb::MsMs 8352 Specdb::MsMs 8353 Specdb::MsMs 14405 Specdb::MsMs 14406 Specdb::MsMs 14407 Specdb::MsMs 15023 Specdb::MsMs 15024 Specdb::MsMs 15025 Specdb::MsMs 2661223 Specdb::MsMs 2661224 Specdb::MsMs 2661225 Specdb::MsMs 3021141 Specdb::MsMs 3021142 Specdb::MsMs 3021143 Specdb::NmrOneD 141510 Specdb::NmrOneD 141511 Specdb::NmrOneD 141512 Specdb::NmrOneD 141513 Specdb::NmrOneD 141514 Specdb::NmrOneD 141515 Specdb::NmrOneD 141516 Specdb::NmrOneD 141517 Specdb::NmrOneD 141518 Specdb::NmrOneD 141519 Specdb::NmrOneD 141520 Specdb::NmrOneD 141521 Specdb::NmrOneD 141522 Specdb::NmrOneD 141523 Specdb::NmrOneD 141524 Specdb::NmrOneD 141525 Specdb::NmrOneD 141526 Specdb::NmrOneD 141527 Specdb::NmrOneD 141528 Specdb::NmrOneD 141529 HMDB0037536 Brassicas Unknown generic 3705 Horseradish Type 1 specific Armoracia rusticana 3704