1.0 2010-04-08 22:13:09 UTC 2025-11-19 01:54:59 UTC FDB017547 Isorhamnetin 3-O-[b-D-glucopyranosyl-(1->2)-[a-L-rhamnopyranosyl-(1->6)]-b-D-glucopyranoside] Constituent of peanut skins (Arachis hypogaea). Isorhamnetin 3-O-[b-D-glucopyranosyl-(1->2)-[a-L-rhamnopyranosyl-(1->6)]-b-D-glucopyranoside] is found in nuts. C34H42O21 786.6847 786.221858406 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-hydroxy-3-methoxyphenyl)-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-hydroxy-3-methoxyphenyl)chromen-4-one COC1=C(O)C=CC(=C1)C1=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1 InChI=1S/C34H42O21/c1-10-20(39)24(43)27(46)32(50-10)49-9-18-22(41)26(45)31(55-33-28(47)25(44)21(40)17(8-35)52-33)34(53-18)54-30-23(42)19-14(38)6-12(36)7-16(19)51-29(30)11-3-4-13(37)15(5-11)48-2/h3-7,10,17-18,20-22,24-28,31-41,43-47H,8-9H2,1-2H3 IPNYNJAPZARORI-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'-O-methylated flavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Alkyl aryl ethers Anisoles Chromones Flavones Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes Methoxyphenols O-glycosyl compounds Oligosaccharides Organic oxides Oxacyclic compounds Oxanes Phenoxy compounds Polyols Primary alcohols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3p-methoxyflavonoid-skeleton 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Flavone Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Methoxyphenol Monocyclic benzene moiety O-glycosyl compound Oligosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenoxy compound Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid logp -0.52 ALOGPS logs -1.90 ALOGPS solubility 9.82e+00 g/l ALOGPS logp -2.5 ChemAxon pka_strongest_acidic 6.44 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-hydroxy-3-methoxyphenyl)-4H-chromen-4-one ChemAxon average_mass 786.6847 ChemAxon mono_mass 786.221858406 ChemAxon smiles COC1=C(O)C=CC(=C1)C1=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1 ChemAxon formula C34H42O21 ChemAxon inchi InChI=1S/C34H42O21/c1-10-20(39)24(43)27(46)32(50-10)49-9-18-22(41)26(45)31(55-33-28(47)25(44)21(40)17(8-35)52-33)34(53-18)54-30-23(42)19-14(38)6-12(36)7-16(19)51-29(30)11-3-4-13(37)15(5-11)48-2/h3-7,10,17-18,20-22,24-28,31-41,43-47H,8-9H2,1-2H3 ChemAxon inchikey IPNYNJAPZARORI-UHFFFAOYSA-N ChemAxon polar_surface_area 333.67 ChemAxon refractivity 177.04 ChemAxon polarizability 75.04 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 21 ChemAxon donor_count 12 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 786314 Specdb::CMs 786315 Specdb::CMs 786316 Specdb::CMs 786317 Specdb::CMs 786318 Specdb::CMs 786319 Specdb::CMs 786320 Specdb::CMs 786321 Specdb::CMs 786322 Specdb::CMs 786323 Specdb::CMs 786324 Specdb::CMs 786325 Specdb::NmrOneD 25322 Specdb::NmrOneD 25323 Specdb::NmrOneD 25324 Specdb::NmrOneD 25325 Specdb::NmrOneD 25326 Specdb::NmrOneD 25327 Specdb::NmrOneD 25328 Specdb::NmrOneD 25329 Specdb::NmrOneD 25330 Specdb::NmrOneD 25331 Specdb::NmrOneD 25332 Specdb::NmrOneD 25333 Specdb::NmrOneD 25334 Specdb::NmrOneD 25335 Specdb::NmrOneD 25336 Specdb::NmrOneD 25337 Specdb::NmrOneD 25338 Specdb::NmrOneD 25339 Specdb::NmrOneD 25340 Specdb::NmrOneD 25341 Specdb::MsMs 74607 Specdb::MsMs 74608 Specdb::MsMs 74609 Specdb::MsMs 134034 Specdb::MsMs 134035 Specdb::MsMs 134036 Specdb::MsMs 2334727 Specdb::MsMs 2334728 Specdb::MsMs 2334729 Specdb::MsMs 2627993 Specdb::MsMs 2627994 Specdb::MsMs 2627995 HMDB38254 #<Reference:0x000055ce3064fe70> Nuts Unknown generic