1.0 2010-04-08 22:11:40 UTC 2025-11-19 00:52:47 UTC FDB015123 Gladiatoside A3 Constituent of the seeds of Canavalia gladiata (sword bean). Gladiatoside A3 is found in pulses. Gladiatoside A3 C47H56O26 1036.9319 1036.305981964 2-({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-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl}oxy)-4,5-dihydroxy-6-methyloxan-3-yl 2-methoxybenzoate 2-({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-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl}oxy)-4,5-dihydroxy-6-methyloxan-3-yl 2-methoxybenzoate COC1=C(C=CC=C1)C(=O)OC1C(O)C(O)C(C)OC1OC1=CC(O)=C2C(OC(C3=CC=C(O)C=C3)=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C2=O)=C1 InChI=1S/C47H56O26/c1-16-28(51)33(56)37(60)44(65-16)64-15-26-31(54)36(59)42(73-45-38(61)34(57)30(53)25(14-48)69-45)47(70-26)72-40-32(55)27-22(50)12-20(13-24(27)68-39(40)18-8-10-19(49)11-9-18)67-46-41(35(58)29(52)17(2)66-46)71-43(62)21-6-4-5-7-23(21)63-3/h4-13,16-17,25-26,28-31,33-38,41-42,44-54,56-61H,14-15H2,1-3H3 UVIPIMQKEJUCMV-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Flavonoid-7-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 Acetals Alkyl aryl ethers Anisoles Benzoic acid esters Benzoyl derivatives Carboxylic acid esters Chromones Flavones Flavonoid-3-O-glycosides Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes Monocarboxylic acids and derivatives O-glycosyl compounds O-methoxybenzoic acids and derivatives Oligosaccharides Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds 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 Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzoate ester Benzoic acid or derivatives Benzopyran Benzoyl Carboxylic acid derivative Carboxylic acid ester Chromone Ether Flavone Flavonoid-3-o-glycoside Flavonoid-7-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Monocarboxylic acid or derivatives Monocyclic benzene moiety O-glycosyl compound O-methoxybenzoic acid or derivatives Oligosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Pyran Pyranone Secondary alcohol Vinylogous acid logp 0.87 ALOGPS logs -2.56 ALOGPS solubility 2.83e+00 g/l ALOGPS logp -1.2 ChemAxon pka_strongest_acidic 8.1 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 2-({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-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl}oxy)-4,5-dihydroxy-6-methyloxan-3-yl 2-methoxybenzoate ChemAxon average_mass 1036.9319 ChemAxon mono_mass 1036.305981964 ChemAxon smiles COC1=C(C=CC=C1)C(=O)OC1C(O)C(O)C(C)OC1OC1=CC(O)=C2C(OC(C3=CC=C(O)C=C3)=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)C2=O)=C1 ChemAxon formula C47H56O26 ChemAxon inchi InChI=1S/C47H56O26/c1-16-28(51)33(56)37(60)44(65-16)64-15-26-31(54)36(59)42(73-45-38(61)34(57)30(53)25(14-48)69-45)47(70-26)72-40-32(55)27-22(50)12-20(13-24(27)68-39(40)18-8-10-19(49)11-9-18)67-46-41(35(58)29(52)17(2)66-46)71-43(62)21-6-4-5-7-23(21)63-3/h4-13,16-17,25-26,28-31,33-38,41-42,44-54,56-61H,14-15H2,1-3H3 ChemAxon inchikey UVIPIMQKEJUCMV-UHFFFAOYSA-N ChemAxon polar_surface_area 398.66 ChemAxon refractivity 237.46 ChemAxon polarizability 99.76 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 25 ChemAxon donor_count 13 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 134738 Specdb::NmrOneD 134739 Specdb::NmrOneD 134740 Specdb::NmrOneD 134741 Specdb::NmrOneD 134742 Specdb::NmrOneD 134743 Specdb::NmrOneD 134744 Specdb::NmrOneD 134745 Specdb::NmrOneD 134746 Specdb::NmrOneD 134747 Specdb::NmrOneD 134748 Specdb::NmrOneD 134749 Specdb::NmrOneD 134750 Specdb::NmrOneD 134751 Specdb::NmrOneD 134752 Specdb::NmrOneD 134753 Specdb::NmrOneD 134754 Specdb::NmrOneD 134755 Specdb::NmrOneD 134756 Specdb::NmrOneD 134757 Specdb::MsMs 81756 Specdb::MsMs 81757 Specdb::MsMs 81758 Specdb::MsMs 142938 Specdb::MsMs 142939 Specdb::MsMs 142940 Specdb::MsMs 2297905 Specdb::MsMs 2297906 Specdb::MsMs 2297907 Specdb::MsMs 2638231 Specdb::MsMs 2638232 Specdb::MsMs 2638233 HMDB36259 #<Reference:0x00007f093c17f740> Pulses Unknown generic