1.0 2010-04-08 22:13:57 UTC 2019-11-26 03:16:43 UTC FDB018813 Granatin A Major tannin constituent isolated from the leaves of Punica granatum (pomegranate). Granatin A is found in fruits and pomegranate. 1,6-(S)-Hexahydroxydiphenoyl-2,4-(S)-dehydrohexahydroxydiphenoyl-b-D-glucopyranose C34H24O22 784.5412 784.075922452 (1R,2R,19R,20S,29S,31S,37S)-6,7,8,11,12,13,25,26,30,30,31,37-dodecahydroxy-17,21,36,38,39-pentaoxaoctacyclo[18.16.1.1^{2,19}.1^{27,31}.0^{4,9}.0^{10,15}.0^{23,28}.0^{29,34}]nonatriaconta-4,6,8,10,12,14,23,25,27,33-decaene-3,16,22,32,35-pentone (1R,2R,19R,20S,29S,31S,37S)-6,7,8,11,12,13,25,26,30,30,31,37-dodecahydroxy-17,21,36,38,39-pentaoxaoctacyclo[18.16.1.1^{2,19}.1^{27,31}.0^{4,9}.0^{10,15}.0^{23,28}.0^{29,34}]nonatriaconta-4,6,8,10,12,14,23,25,27,33-decaene-3,16,22,32,35-pentone 73683-70-2 [H][C@@]12C3=CC(=O)[C@@](O)(OC4=C1C(=CC(O)=C4O)C(=O)O[C@@H]1[C@H]4COC(=O)C5=C(C(O)=C(O)C(O)=C5)C5=C(O)C(O)=C(O)C=C5C(=O)[C@H](O4)[C@H](OC3=O)[C@H]1O)C2(O)O InChI=1S/C34H24O22/c35-10-1-6-15(23(43)20(10)40)16-7(2-11(36)21(41)24(16)44)30(46)52-5-13-26-25(45)29(28(53-13)19(6)39)55-32(48)9-4-14(38)34(51)33(49,50)18(9)17-8(31(47)54-26)3-12(37)22(42)27(17)56-34/h1-4,13,18,25-26,28-29,35-37,40-45,49-51H,5H2/t13-,18-,25+,26-,28+,29-,34-/m1/s1 BEAQEKRAXFQCBO-AHMBPAJWSA-N belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. Hydrolyzable tannins Organic compounds Phenylpropanoids and polyketides Tannins Hydrolyzable tannins Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aryl alkyl ketones Carbonyl hydrates Cyclohexenones Dialkyl ethers Enoate esters Gallic acid and derivatives Hemiacetals Hydrocarbon derivatives Lactones Monosaccharides Organic oxides Oxacyclic compounds Oxanes Polyols Secondary alcohols Tricarboxylic acids and derivatives 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alcohol Alpha,beta-unsaturated carboxylic ester Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzopyran Carbonyl group Carbonyl hydrate Carboxylic acid derivative Carboxylic acid ester Chromane Cyclohexenone Dialkyl ether Dihydroxybenzoic acid Enoate ester Ether Gallic acid or derivatives Hemiacetal Hydrocarbon derivative Hydrolyzable tannin Ketone Lactone Monosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Secondary alcohol Tricarboxylic acid or derivatives logp 1.48 ALOGPS logs -1.77 ALOGPS solubility 1.34e+01 g/l ALOGPS logp 0.13 ChemAxon pka_strongest_acidic 5.65 ChemAxon pka_strongest_basic -5.6 ChemAxon iupac (1R,2R,19R,20S,29S,31S,37S)-6,7,8,11,12,13,25,26,30,30,31,37-dodecahydroxy-17,21,36,38,39-pentaoxaoctacyclo[18.16.1.1^{2,19}.1^{27,31}.0^{4,9}.0^{10,15}.0^{23,28}.0^{29,34}]nonatriaconta-4,6,8,10,12,14,23,25,27,33-decaene-3,16,22,32,35-pentone ChemAxon average_mass 784.5412 ChemAxon mono_mass 784.075922452 ChemAxon smiles [H][C@@]12C3=CC(=O)[C@@](O)(OC4=C1C(=CC(O)=C4O)C(=O)O[C@@H]1[C@H]4COC(=O)C5=C(C(O)=C(O)C(O)=C5)C5=C(O)C(O)=C(O)C=C5C(=O)[C@H](O4)[C@H](OC3=O)[C@H]1O)C2(O)O ChemAxon formula C34H24O22 ChemAxon inchi InChI=1S/C34H24O22/c35-10-1-6-15(23(43)20(10)40)16-7(2-11(36)21(41)24(16)44)30(46)52-5-13-26-25(45)29(28(53-13)19(6)39)55-32(48)9-4-14(38)34(51)33(49,50)18(9)17-8(31(47)54-26)3-12(37)22(42)27(17)56-34/h1-4,13,18,25-26,28-29,35-37,40-45,49-51H,5H2/t13-,18-,25+,26-,28+,29-,34-/m1/s1 ChemAxon inchikey BEAQEKRAXFQCBO-AHMBPAJWSA-N ChemAxon polar_surface_area 374.26 ChemAxon refractivity 173.59 ChemAxon polarizability 68.81 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 19 ChemAxon donor_count 12 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon HMDB39271 #<Reference:0x000055ce333b1850> Fruits Unknown generic Pomegranate Type 1 specific Punica granatum 22663 Anti hepatotoxic 328 Any compound that is able to prevent damage to the liver. Anti peroxidant 519