1.0 2010-04-08 22:11:40 UTC 2025-11-19 00:52:48 UTC FDB015125 Gladiatoside A1 Constituent of the seeds of Canavalia gladiata (sword bean). Gladiatoside A1 is found in pulses. Gladiatoside A1 C47H56O26 1036.9319 1036.305981964 6-({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-2-methyloxan-3-yl 2-methoxybenzoate 6-({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-2-methyloxan-3-yl 2-methoxybenzoate COC1=C(C=CC=C1)C(=O)OC1C(C)OC(OC2=CC(O)=C3C(OC(C4=CC=C(O)C=C4)=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C3=O)=C2)C(O)C1O InChI=1S/C47H56O26/c1-16-28(51)32(55)36(59)44(65-16)64-15-26-30(53)34(57)42(73-46-37(60)33(56)29(52)25(14-48)69-46)47(70-26)72-41-31(54)27-22(50)12-20(13-24(27)68-40(41)18-8-10-19(49)11-9-18)67-45-38(61)35(58)39(17(2)66-45)71-43(62)21-6-4-5-7-23(21)63-3/h4-13,16-17,25-26,28-30,32-39,42,44-53,55-61H,14-15H2,1-3H3 OXADVNUEZRYSAH-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 -2.60 ALOGPS solubility 2.60e+00 g/l ALOGPS logp -1.2 ChemAxon pka_strongest_acidic 8.1 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 6-({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-2-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(C)OC(OC2=CC(O)=C3C(OC(C4=CC=C(O)C=C4)=C(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C3=O)=C2)C(O)C1O ChemAxon formula C47H56O26 ChemAxon inchi InChI=1S/C47H56O26/c1-16-28(51)32(55)36(59)44(65-16)64-15-26-30(53)34(57)42(73-46-37(60)33(56)29(52)25(14-48)69-46)47(70-26)72-41-31(54)27-22(50)12-20(13-24(27)68-40(41)18-8-10-19(49)11-9-18)67-45-38(61)35(58)39(17(2)66-45)71-43(62)21-6-4-5-7-23(21)63-3/h4-13,16-17,25-26,28-30,32-39,42,44-53,55-61H,14-15H2,1-3H3 ChemAxon inchikey OXADVNUEZRYSAH-UHFFFAOYSA-N ChemAxon polar_surface_area 398.66 ChemAxon refractivity 237.46 ChemAxon polarizability 100.01 ChemAxon rotatable_bond_count 15 ChemAxon acceptor_count 25 ChemAxon donor_count 13 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 77067 Specdb::MsMs 77068 Specdb::MsMs 77069 Specdb::MsMs 137076 Specdb::MsMs 137077 Specdb::MsMs 137078 Specdb::MsMs 2416471 Specdb::MsMs 2416472 Specdb::MsMs 2416473 Specdb::MsMs 2546646 Specdb::MsMs 2546647 Specdb::MsMs 2546648 Specdb::NmrOneD 134778 Specdb::NmrOneD 134779 Specdb::NmrOneD 134780 Specdb::NmrOneD 134781 Specdb::NmrOneD 134782 Specdb::NmrOneD 134783 Specdb::NmrOneD 134784 Specdb::NmrOneD 134785 Specdb::NmrOneD 134786 Specdb::NmrOneD 134787 Specdb::NmrOneD 134788 Specdb::NmrOneD 134789 Specdb::NmrOneD 134790 Specdb::NmrOneD 134791 Specdb::NmrOneD 134792 Specdb::NmrOneD 134793 Specdb::NmrOneD 134794 Specdb::NmrOneD 134795 Specdb::NmrOneD 134796 Specdb::NmrOneD 134797 HMDB36261 #<Reference:0x000055ce330af418> Pulses Unknown generic