1.0 2010-04-08 22:11:39 UTC 2025-11-19 00:52:45 UTC FDB015118 Gladiatoside C2 Constituent of the seeds of Canavalia gladiata (sword bean). Gladiatoside C2 is found in pulses. Gladiatoside C2 C29H26O12 566.5095 566.142426296 2-{[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl 2-methoxybenzoate 2-{[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl 2-methoxybenzoate COC1=CC=CC=C1C(=O)OC1C(O)C(O)C(C)OC1OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC=C(O)C=C2)=C1 InChI=1S/C29H26O12/c1-13-22(32)24(34)27(41-28(36)17-5-3-4-6-19(17)37-2)29(38-13)39-16-11-18(31)21-20(12-16)40-26(25(35)23(21)33)14-7-9-15(30)10-8-14/h3-13,22,24,27,29-32,34-35H,1-2H3 LEIRBJWWXASKQN-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 1,2-diols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Acetals Alkyl aryl ethers Anisoles Benzoic acid esters Benzoyl derivatives Carboxylic acid esters Chromones Flavonols Heteroaromatic compounds Hexoses Hydrocarbon derivatives Methoxybenzenes Monocarboxylic acids and derivatives O-glycosyl compounds O-methoxybenzoic acids and derivatives Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Pyranones and derivatives Secondary alcohols Vinylogous acids 1,2-diol 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3-hydroxyflavone 3-hydroxyflavonoid 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-7-o-glycoside Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glycosyl compound O-methoxybenzoic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Pyran Pyranone Secondary alcohol Vinylogous acid logp 3.01 ALOGPS logs -3.72 ALOGPS solubility 1.08e-01 g/l ALOGPS logp 3.58 ChemAxon pka_strongest_acidic 8.01 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-{[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-4,5-dihydroxy-6-methyloxan-3-yl 2-methoxybenzoate ChemAxon average_mass 566.5095 ChemAxon mono_mass 566.142426296 ChemAxon smiles COC1=CC=CC=C1C(=O)OC1C(O)C(O)C(C)OC1OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC=C(O)C=C2)=C1 ChemAxon formula C29H26O12 ChemAxon inchi InChI=1S/C29H26O12/c1-13-22(32)24(34)27(41-28(36)17-5-3-4-6-19(17)37-2)29(38-13)39-16-11-18(31)21-20(12-16)40-26(25(35)23(21)33)14-7-9-15(30)10-8-14/h3-13,22,24,27,29-32,34-35H,1-2H3 ChemAxon inchikey LEIRBJWWXASKQN-UHFFFAOYSA-N ChemAxon polar_surface_area 181.44 ChemAxon refractivity 141.77 ChemAxon polarizability 56.57 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 11 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23014 Specdb::CMs 44782 Specdb::CMs 282135 Specdb::CMs 361118 Specdb::CMs 361119 Specdb::CMs 361120 Specdb::CMs 361121 Specdb::CMs 361122 Specdb::CMs 361123 Specdb::CMs 361124 Specdb::CMs 361125 Specdb::CMs 361126 Specdb::CMs 361127 Specdb::CMs 361128 Specdb::CMs 361129 Specdb::CMs 361130 Specdb::CMs 361131 Specdb::CMs 361132 Specdb::CMs 361133 Specdb::CMs 361134 Specdb::CMs 361135 Specdb::CMs 361136 Specdb::CMs 361137 Specdb::CMs 361138 Specdb::CMs 361139 Specdb::MsMs 7412 Specdb::MsMs 7413 Specdb::MsMs 7414 Specdb::MsMs 14084 Specdb::MsMs 14085 Specdb::MsMs 14086 Specdb::MsMs 2358366 Specdb::MsMs 2358367 Specdb::MsMs 2358368 Specdb::MsMs 2604614 Specdb::MsMs 2604615 Specdb::MsMs 2604616 HMDB36254 #<Reference:0x00007f093c110ca0> Pulses Unknown generic