1.0 2010-04-08 22:14:28 UTC 2025-11-19 02:21:44 UTC FDB019613 Astragalin 2''-glucoside 6''-rhamnoside Isolated from Solanum subspecies and soya beans. Astragalin 2''-glucoside 6''-rhamnoside is found in many foods, some of which are potato, soy bean, pulses, and oil-seed camellia. Astragalin 2''-glucoside 6''-rhamnoside Kaempferol 3-(2''-glucosylrutinoside) Kaempferol 3-(2G-glucosylrutinoside) Kaempferol 3-(6''-rhamnosylsophoroside) Kaempferol 3-(6'''-rhamnosyl-2'''-glucosyl-glucoside) C33H40O20 756.6587 756.21129372 3-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one 3-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one 55696-58-7 CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O InChI=1S/C33H40O20/c1-10-19(38)23(42)26(45)31(48-10)47-9-17-21(40)25(44)30(53-32-27(46)24(43)20(39)16(8-34)50-32)33(51-17)52-29-22(41)18-14(37)6-13(36)7-15(18)49-28(29)11-2-4-12(35)5-3-11/h2-7,10,16-17,19-21,23-27,30-40,42-46H,8-9H2,1H3 VNLOLXSJMINBIS-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 Flavones Heteroaromatic compounds Hydrocarbon derivatives O-glycosyl compounds Oligosaccharides 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 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 Vinylogous acid logp -0.58 ALOGPS logs -1.85 ALOGPS solubility 1.06e+01 g/l ALOGPS logp -2.3 ChemAxon pka_strongest_acidic 6.43 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one ChemAxon average_mass 756.6587 ChemAxon mono_mass 756.21129372 ChemAxon smiles CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C=C3)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C33H40O20 ChemAxon inchi InChI=1S/C33H40O20/c1-10-19(38)23(42)26(45)31(48-10)47-9-17-21(40)25(44)30(53-32-27(46)24(43)20(39)16(8-34)50-32)33(51-17)52-29-22(41)18-14(37)6-13(36)7-15(18)49-28(29)11-2-4-12(35)5-3-11/h2-7,10,16-17,19-21,23-27,30-40,42-46H,8-9H2,1H3 ChemAxon inchikey VNLOLXSJMINBIS-UHFFFAOYSA-N ChemAxon polar_surface_area 324.44 ChemAxon refractivity 170.58 ChemAxon polarizability 72.65 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 20 ChemAxon donor_count 12 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 780893 Specdb::CMs 780894 Specdb::CMs 780895 Specdb::CMs 780896 Specdb::CMs 780897 Specdb::CMs 780898 Specdb::CMs 780899 Specdb::CMs 780900 Specdb::CMs 780901 Specdb::CMs 780902 Specdb::CMs 780903 Specdb::CMs 780904 Specdb::CMs 780905 Specdb::CMs 780906 Specdb::CMs 780907 Specdb::CMs 780908 Specdb::CMs 780909 Specdb::CMs 780910 Specdb::CMs 780911 Specdb::CMs 780912 Specdb::CMs 780913 Specdb::CMs 780914 Specdb::CMs 780915 Specdb::CMs 780916 Specdb::NmrOneD 37242 Specdb::NmrOneD 37243 Specdb::NmrOneD 37244 Specdb::NmrOneD 37245 Specdb::NmrOneD 37246 Specdb::NmrOneD 37247 Specdb::NmrOneD 37248 Specdb::NmrOneD 37249 Specdb::NmrOneD 37250 Specdb::NmrOneD 37251 Specdb::NmrOneD 37252 Specdb::NmrOneD 37253 Specdb::NmrOneD 37254 Specdb::NmrOneD 37255 Specdb::NmrOneD 37256 Specdb::NmrOneD 37257 Specdb::NmrOneD 37258 Specdb::NmrOneD 37259 Specdb::NmrOneD 37260 Specdb::NmrOneD 37261 Specdb::MsMs 10235 Specdb::MsMs 10236 Specdb::MsMs 10237 Specdb::MsMs 11015 Specdb::MsMs 11016 Specdb::MsMs 11017 Specdb::MsMs 16907 Specdb::MsMs 16908 Specdb::MsMs 16909 Specdb::MsMs 17687 Specdb::MsMs 17688 Specdb::MsMs 17689 Specdb::MsMs 2731261 Specdb::MsMs 2731262 Specdb::MsMs 2731263 Specdb::MsMs 2977031 Specdb::MsMs 2977032 Specdb::MsMs 2977033 HMDB0039951 Oil-seed Camellia Type 1 specific Camellia oleifera 385388 Potato Type 1 specific Solanum tuberosum 4113 Pulses Unknown generic Soy bean Type 1 specific Glycine max 3847 Sweet cherry Type 1 specific Prunus avium 42229