1.0 2010-04-08 22:14:04 UTC 2025-11-19 02:16:04 UTC FDB018985 N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid Constituent of the seedlings of Vicia faba. N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid is found in pulses. C20H24N2O12 484.4108 484.132924242 (2S)-2-{[1-hydroxy-2-(2-hydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3H-indol-3-yl)ethylidene]amino}butanedioic acid (2S)-2-{[1-hydroxy-2-(2-hydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}indol-3-yl)ethylidene]amino}butanedioic acid 99694-85-6 [H][C@@](CC(O)=O)(NC(=O)CC1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)NC2=C1C=CC=C2)C(O)=O InChI=1S/C20H24N2O12/c23-7-11-14(27)15(28)16(29)18(33-11)34-20(8-3-1-2-4-9(8)22-19(20)32)6-12(24)21-10(17(30)31)5-13(25)26/h1-4,10-11,14-16,18,23,27-29H,5-7H2,(H,21,24)(H,22,32)(H,25,26)(H,30,31)/t10-,11+,14+,15-,16+,18-,20?/m0/s1 ANAVISFXAGVRIA-VSHICFTDSA-N belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. Tricarboxylic acids and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Tricarboxylic acids and derivatives Aliphatic acyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Tricarboxylic acid or derivatives aconitic acid logp -1.39 ALOGPS logs -2.38 ALOGPS solubility 2.00e+00 g/l ALOGPS logp -1.3 ChemAxon pka_strongest_acidic 2.25 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac (2S)-2-{[1-hydroxy-2-(2-hydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3H-indol-3-yl)ethylidene]amino}butanedioic acid ChemAxon average_mass 484.4108 ChemAxon mono_mass 484.132924242 ChemAxon smiles [H][C@@](CC(O)=O)(NC(=O)CC1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)NC2=C1C=CC=C2)C(O)=O ChemAxon formula C20H24N2O12 ChemAxon inchi InChI=1S/C20H24N2O12/c23-7-11-14(27)15(28)16(29)18(33-11)34-20(8-3-1-2-4-9(8)22-19(20)32)6-12(24)21-10(17(30)31)5-13(25)26/h1-4,10-11,14-16,18,23,27-29H,5-7H2,(H,21,24)(H,22,32)(H,25,26)(H,30,31)/t10-,11+,14+,15-,16+,18-,20?/m0/s1 ChemAxon inchikey ANAVISFXAGVRIA-VSHICFTDSA-N ChemAxon polar_surface_area 239.16 ChemAxon refractivity 108.69 ChemAxon polarizability 43.44 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 14 ChemAxon donor_count 8 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 51030 Specdb::MsMs 51031 Specdb::MsMs 51032 Specdb::MsMs 130881 Specdb::MsMs 130882 Specdb::MsMs 130883 HMDB39409 #<Reference:0x000055ce3281fac8> Pulses Unknown generic