1.0 2010-04-08 22:12:32 UTC 2025-11-19 01:48:44 UTC FDB016615 Rustoside Isolated from leaves of horseradish (Armoracia rusticana). Rustoside is found in horseradish and brassicas. Kaempferol 3-lathyroside Rustoside C26H28O15 580.4915 580.142820226 3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one 3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 83144-68-7 OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O InChI=1S/C26H28O15/c27-7-15-18(33)20(35)24(41-25-21(36)17(32)13(31)8-37-25)26(39-15)40-23-19(34)16-12(30)5-11(29)6-14(16)38-22(23)9-1-3-10(28)4-2-9/h1-6,13,15,17-18,20-21,24-33,35-36H,7-8H2 RXAXTTGJEMODPY-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 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 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 Vinylogous acid logp -0.30 ALOGPS logs -2.14 ALOGPS solubility 4.20e+00 g/l ALOGPS logp -0.98 ChemAxon pka_strongest_acidic 6.43 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-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 OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O ChemAxon formula C26H28O15 ChemAxon inchi InChI=1S/C26H28O15/c27-7-15-18(33)20(35)24(41-25-21(36)17(32)13(31)8-37-25)26(39-15)40-23-19(34)16-12(30)5-11(29)6-14(16)38-22(23)9-1-3-10(28)4-2-9/h1-6,13,15,17-18,20-21,24-33,35-36H,7-8H2 ChemAxon inchikey RXAXTTGJEMODPY-UHFFFAOYSA-N ChemAxon polar_surface_area 245.29 ChemAxon refractivity 133.75 ChemAxon polarizability 55.29 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 15 ChemAxon donor_count 9 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 11834 Specdb::MsMs 11835 Specdb::MsMs 11836 Specdb::MsMs 18506 Specdb::MsMs 18507 Specdb::MsMs 18508 Specdb::MsMs 2836998 Specdb::MsMs 2836999 Specdb::MsMs 2837000 Specdb::MsMs 2868165 Specdb::MsMs 2868166 Specdb::MsMs 2868167 Specdb::CMs 16200 Specdb::CMs 45444 Specdb::CMs 282540 Specdb::CMs 394169 Specdb::CMs 394170 Specdb::CMs 394171 Specdb::CMs 394172 Specdb::CMs 394173 Specdb::CMs 394174 Specdb::CMs 394175 Specdb::CMs 394176 Specdb::CMs 394177 Specdb::CMs 394178 Specdb::CMs 394179 Specdb::CMs 394180 Specdb::CMs 394181 Specdb::CMs 394182 Specdb::CMs 394183 Specdb::CMs 394184 Specdb::CMs 394185 Specdb::CMs 394186 Specdb::CMs 394187 Specdb::CMs 394188 Specdb::CMs 394189 Specdb::CMs 394190 Specdb::NmrOneD 141450 Specdb::NmrOneD 141451 Specdb::NmrOneD 141452 Specdb::NmrOneD 141453 Specdb::NmrOneD 141454 Specdb::NmrOneD 141455 Specdb::NmrOneD 141456 Specdb::NmrOneD 141457 Specdb::NmrOneD 141458 Specdb::NmrOneD 141459 Specdb::NmrOneD 141460 Specdb::NmrOneD 141461 Specdb::NmrOneD 141462 Specdb::NmrOneD 141463 Specdb::NmrOneD 141464 Specdb::NmrOneD 141465 Specdb::NmrOneD 141466 Specdb::NmrOneD 141467 Specdb::NmrOneD 141468 Specdb::NmrOneD 141469 HMDB37533 #<Reference:0x000055ce33040018> Brassicas Unknown generic 3705 Horseradish Type 1 specific Armoracia rusticana 3704