1.0 2010-04-08 22:14:01 UTC 2019-11-26 03:16:54 UTC FDB018928 Kurigalin A gallotannin isolated from the bark of Castanea crenata (Japanese chestnut). Kurigalin is found in nuts. 2,2',5-Tri-O-galloylhamamelofuranose Kurigalin C27H24O18 636.4687 636.096263964 [3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyloxy)-4-[(3,4,5-trihydroxybenzoyloxy)methyl]oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate [3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyloxy)-4-[(3,4,5-trihydroxybenzoyloxy)methyl]oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate 91573-80-7 OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1(COC(=O)C1=CC(O)=C(O)C(O)=C1)OC(=O)C1=CC(O)=C(O)C(O)=C1 InChI=1S/C27H24O18/c28-12-1-9(2-13(29)19(12)34)23(38)42-7-18-22(37)27(26(41)44-18,45-25(40)11-5-16(32)21(36)17(33)6-11)8-43-24(39)10-3-14(30)20(35)15(31)4-10/h1-6,18,22,26,28-37,41H,7-8H2 AFXUNCBGZGFPOZ-UHFFFAOYSA-N belongs to the class of organic compounds known as galloyl esters. These are organic compounds that contain an ester derivative of 3,4,5-trihydroxybenzoic acid. Galloyl esters Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzoyl derivatives Carboxylic acid esters Hemiacetals Hydrocarbon derivatives Organic oxides Oxacyclic compounds Pentoses Polyols Pyrogallols and derivatives Secondary alcohols Tetrahydrofurans Tricarboxylic acids and derivatives m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alcohol Aromatic heteromonocyclic compound Benzenetriol Benzoate ester Benzoyl Carboxylic acid derivative Carboxylic acid ester Galloyl ester Hemiacetal Hydrocarbon derivative M-hydroxybenzoic acid ester Monosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Pentose monosaccharide Phenol Polyol Pyrogallol derivative Secondary alcohol Tetrahydrofuran Tricarboxylic acid or derivatives logp 1.71 ALOGPS logs -3.18 ALOGPS solubility 4.20e-01 g/l ALOGPS logp 1.69 ChemAxon pka_strongest_acidic 7.63 ChemAxon pka_strongest_basic -5.5 ChemAxon iupac [3,5-dihydroxy-4-(3,4,5-trihydroxybenzoyloxy)-4-[(3,4,5-trihydroxybenzoyloxy)methyl]oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate ChemAxon average_mass 636.4687 ChemAxon mono_mass 636.096263964 ChemAxon smiles OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1(COC(=O)C1=CC(O)=C(O)C(O)=C1)OC(=O)C1=CC(O)=C(O)C(O)=C1 ChemAxon formula C27H24O18 ChemAxon inchi InChI=1S/C27H24O18/c28-12-1-9(2-13(29)19(12)34)23(38)42-7-18-22(37)27(26(41)44-18,45-25(40)11-5-16(32)21(36)17(33)6-11)8-43-24(39)10-3-14(30)20(35)15(31)4-10/h1-6,18,22,26,28-37,41H,7-8H2 ChemAxon inchikey AFXUNCBGZGFPOZ-UHFFFAOYSA-N ChemAxon polar_surface_area 310.66 ChemAxon refractivity 143.44 ChemAxon polarizability 58.68 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 15 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19867 Specdb::CMs 595270 Specdb::CMs 595271 Specdb::CMs 595272 Specdb::CMs 595273 Specdb::CMs 595274 Specdb::CMs 595275 Specdb::CMs 595276 Specdb::CMs 595277 Specdb::CMs 595278 Specdb::CMs 595279 Specdb::CMs 595280 Specdb::CMs 595281 Specdb::CMs 595282 Specdb::CMs 595283 Specdb::CMs 595284 Specdb::CMs 595285 Specdb::CMs 595286 Specdb::CMs 595287 Specdb::CMs 595288 Specdb::CMs 595289 Specdb::CMs 595290 Specdb::CMs 595291 Specdb::CMs 595292 Specdb::CMs 595293 Specdb::MsMs 68679 Specdb::MsMs 68680 Specdb::MsMs 68681 Specdb::MsMs 126771 Specdb::MsMs 126772 Specdb::MsMs 126773 Specdb::MsMs 2821527 Specdb::MsMs 2821528 Specdb::MsMs 2821529 Specdb::MsMs 2857635 Specdb::MsMs 2857636 Specdb::MsMs 2857637 HMDB39369 #<Reference:0x000055ce32297678> Nuts Unknown generic