1.02010-04-08 22:13:57 UTC2019-11-26 03:16:43 UTCFDB018813Granatin AMajor 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-glucopyranoseC34H24O22784.5412784.075922452(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-pentone73683-70-2[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)OInChI=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/s1BEAQEKRAXFQCBO-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 tanninsOrganic compoundsPhenylpropanoids and polyketidesTanninsHydrolyzable tanninsAromatic heteropolycyclic compounds1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsAryl alkyl ketonesCarbonyl hydratesCyclohexenonesDialkyl ethersEnoate estersGallic acid and derivativesHemiacetalsHydrocarbon derivativesLactonesMonosaccharidesOrganic oxidesOxacyclic compoundsOxanesPolyolsSecondary alcoholsTricarboxylic acids and derivatives1-benzopyran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidAlcoholAlpha,beta-unsaturated carboxylic esterAromatic heteropolycyclic compoundAryl alkyl ketoneAryl ketoneBenzenoidBenzopyranCarbonyl groupCarbonyl hydrateCarboxylic acid derivativeCarboxylic acid esterChromaneCyclohexenoneDialkyl etherDihydroxybenzoic acidEnoate esterEtherGallic acid or derivativesHemiacetalHydrocarbon derivativeHydrolyzable tanninKetoneLactoneMonosaccharideOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleOxanePolyolSecondary alcoholTricarboxylic acid or derivativeslogp1.48logs-1.77solubility1.34e+01 g/llogp0.13pka_strongest_acidic5.65pka_strongest_basic-5.6iupac(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-pentoneaverage_mass784.5412mono_mass784.075922452smiles[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)OformulaC34H24O22inchiInChI=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/s1inchikeyBEAQEKRAXFQCBO-AHMBPAJWSA-Npolar_surface_area374.26refractivity173.59polarizability68.81rotatable_bond_count0acceptor_count19donor_count12physiological_charge-2formal_charge0HMDB39271#<Reference:0x0000555675e22d88>FruitsUnknowngenericPomegranateType 1specificPunica granatum22663anti hepatotoxic328Any compound that is able to prevent damage to the liver.anti peroxidant519