1.0 2010-04-08 22:12:29 UTC 2025-11-19 01:47:40 UTC FDB016523 Tricin 7-[rhamnosyl-(1->2)-galacturonide] Isolated from sugar cane mill syrup (Saccharum subspecies) 4',5,7-Trihydroxy-3',5'-dimethoxyflavone 7-O-[a-L-rhamnopyranosyl-(1->2)-a-D-galacturonopyranoside] Tricin 7-[rhamnosyl-(1->2)-galacturonide] Tricin 7-O-[a-L-rhamnopyranosyl-(1->2)-a-D-galacturonopyranoside] Tricin 7-rhamnosyl-(1->2)-galacturonide C29H32O17 652.5542 652.163949598 3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid 3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-7-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid 89915-54-8 COC1=CC(=CC(OC)=C1O)C1=CC(=O)C2=C(O)C=C(OC3OC(C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C(O)=O)C=C2O1 InChI=1S/C29H32O17/c1-9-19(32)21(34)24(37)28(42-9)46-26-23(36)22(35)25(27(38)39)45-29(26)43-11-6-12(30)18-13(31)8-14(44-15(18)7-11)10-4-16(40-2)20(33)17(5-10)41-3/h4-9,19,21-26,28-30,32-37H,1-3H3,(H,38,39) CFWKEIXHBVWGIW-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-7-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C7-position. Flavonoid-7-O-glucuronides 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 Acetals Alkyl aryl ethers Anisoles Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Chromones Dimethoxybenzenes Disaccharides Flavones Flavonoid-7-O-glycosides Heteroaromatic compounds Hydrocarbon derivatives Methoxyphenols Monocarboxylic acids and derivatives O-glucuronides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Pyranones and derivatives Secondary alcohols Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 1-o-glucuronide 3p-methoxyflavonoid-skeleton 4'-hydroxyflavonoid 5-hydroxyflavonoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Chromone Dimethoxybenzene Disaccharide Ether Flavone Flavonoid-7-o-glucuronide Flavonoid-7-o-glycoside Glucuronic acid or derivatives Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxy acid Hydroxyflavonoid M-dimethoxybenzene Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives Monocyclic benzene moiety O-glucuronide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Pyran Pyranone Secondary alcohol Vinylogous acid logp 0.92 ALOGPS logs -2.57 ALOGPS solubility 1.75e+00 g/l ALOGPS logp -0.28 ChemAxon pka_strongest_acidic 2.8 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid ChemAxon average_mass 652.5542 ChemAxon mono_mass 652.163949598 ChemAxon smiles COC1=CC(=CC(OC)=C1O)C1=CC(=O)C2=C(O)C=C(OC3OC(C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C(O)=O)C=C2O1 ChemAxon formula C29H32O17 ChemAxon inchi InChI=1S/C29H32O17/c1-9-19(32)21(34)24(37)28(42-9)46-26-23(36)22(35)25(27(38)39)45-29(26)43-11-6-12(30)18-13(31)8-14(44-15(18)7-11)10-4-16(40-2)20(33)17(5-10)41-3/h4-9,19,21-26,28-30,32-37H,1-3H3,(H,38,39) ChemAxon inchikey CFWKEIXHBVWGIW-UHFFFAOYSA-N ChemAxon polar_surface_area 260.59 ChemAxon refractivity 148.72 ChemAxon polarizability 62.38 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 17 ChemAxon donor_count 8 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 88098 Specdb::MsMs 88099 Specdb::MsMs 88100 Specdb::MsMs 150762 Specdb::MsMs 150763 Specdb::MsMs 150764 Specdb::MsMs 2695794 Specdb::MsMs 2695795 Specdb::MsMs 2695796 Specdb::MsMs 2986867 Specdb::MsMs 2986868 Specdb::MsMs 2986869 Specdb::CMs 19342 Specdb::CMs 645033 Specdb::CMs 645034 Specdb::CMs 645035 Specdb::CMs 645036 Specdb::CMs 645037 Specdb::CMs 645038 Specdb::CMs 645039 Specdb::CMs 645040 Specdb::CMs 645041 Specdb::CMs 645042 Specdb::CMs 645043 Specdb::CMs 645044 Specdb::CMs 645045 Specdb::CMs 645046 Specdb::CMs 645047 Specdb::CMs 645048 Specdb::CMs 645049 Specdb::CMs 645050 Specdb::CMs 645051 Specdb::CMs 645052 Specdb::CMs 645053 Specdb::CMs 645054 Specdb::CMs 645055 Specdb::CMs 645056 Specdb::NmrOneD 141130 Specdb::NmrOneD 141131 Specdb::NmrOneD 141132 Specdb::NmrOneD 141133 Specdb::NmrOneD 141134 Specdb::NmrOneD 141135 Specdb::NmrOneD 141136 Specdb::NmrOneD 141137 Specdb::NmrOneD 141138 Specdb::NmrOneD 141139 Specdb::NmrOneD 141140 Specdb::NmrOneD 141141 Specdb::NmrOneD 141142 Specdb::NmrOneD 141143 Specdb::NmrOneD 141144 Specdb::NmrOneD 141145 Specdb::NmrOneD 141146 Specdb::NmrOneD 141147 Specdb::NmrOneD 141148 Specdb::NmrOneD 141149 HMDB37461 #<Reference:0x000055ce3345af90>