1.0 2010-04-08 22:11:39 UTC 2025-11-19 00:52:46 UTC FDB015119 Gladiatoside C1 Constituent of the seeds of Canavalia gladiata (sword bean). Gladiatoside C1 is found in pulses. Gladiatoside C1 C29H26O12 566.5095 566.142426296 2-{[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl 2-methoxybenzoate 2-{[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl 2-methoxybenzoate COC1=CC=CC=C1C(=O)OC1C(O)C(C)OC(OC2=CC(O)=C3C(OC(=C(O)C3=O)C3=CC=C(O)C=C3)=C2)C1O InChI=1S/C29H26O12/c1-13-22(32)27(41-28(36)17-5-3-4-6-19(17)37-2)25(35)29(38-13)39-16-11-18(31)21-20(12-16)40-26(24(34)23(21)33)14-7-9-15(30)10-8-14/h3-13,22,25,27,29-32,34-35H,1-2H3 NEPVCTKYHYAHAZ-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 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-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 2.98 ALOGPS logs -3.73 ALOGPS solubility 1.06e-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}-3,5-dihydroxy-6-methyloxan-4-yl 2-methoxybenzoate ChemAxon average_mass 566.5095 ChemAxon mono_mass 566.142426296 ChemAxon smiles COC1=CC=CC=C1C(=O)OC1C(O)C(C)OC(OC2=CC(O)=C3C(OC(=C(O)C3=O)C3=CC=C(O)C=C3)=C2)C1O ChemAxon formula C29H26O12 ChemAxon inchi InChI=1S/C29H26O12/c1-13-22(32)27(41-28(36)17-5-3-4-6-19(17)37-2)25(35)29(38-13)39-16-11-18(31)21-20(12-16)40-26(24(34)23(21)33)14-7-9-15(30)10-8-14/h3-13,22,25,27,29-32,34-35H,1-2H3 ChemAxon inchikey NEPVCTKYHYAHAZ-UHFFFAOYSA-N ChemAxon polar_surface_area 181.44 ChemAxon refractivity 141.77 ChemAxon polarizability 56.94 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 11 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17929 Specdb::CMs 44783 Specdb::CMs 282136 Specdb::CMs 361162 Specdb::CMs 361163 Specdb::CMs 361164 Specdb::CMs 361165 Specdb::CMs 361166 Specdb::CMs 361167 Specdb::CMs 361168 Specdb::CMs 361169 Specdb::CMs 361170 Specdb::CMs 361171 Specdb::CMs 361172 Specdb::CMs 361173 Specdb::CMs 361174 Specdb::CMs 361175 Specdb::CMs 361176 Specdb::CMs 361177 Specdb::CMs 361178 Specdb::CMs 361179 Specdb::CMs 361180 Specdb::CMs 361181 Specdb::CMs 361182 Specdb::CMs 361183 Specdb::MsMs 11555 Specdb::MsMs 11556 Specdb::MsMs 11557 Specdb::MsMs 18227 Specdb::MsMs 18228 Specdb::MsMs 18229 Specdb::MsMs 2824627 Specdb::MsMs 2824628 Specdb::MsMs 2824629 Specdb::MsMs 2853772 Specdb::MsMs 2853773 Specdb::MsMs 2853774 HMDB36255 #<Reference:0x000055ce330d28a0> Pulses Unknown generic