1.02010-04-08 22:13:56 UTC2020-02-24 19:11:09 UTCFDB018804Tellimagrandin I3,4,5,13,21,22,23-heptahydroxy-8,18-dioxo-12-(3,4,5-trihydroxybenzoyloxy)-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(23),2,4,6,19,21-hexaen-11-yl 3,4,5-trihydroxybenzoate is a member of the class of compounds known as hydrolyzable tannins. Hydrolyzable tannins 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) 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. 3,4,5,13,21,22,23-heptahydroxy-8,18-dioxo-12-(3,4,5-trihydroxybenzoyloxy)-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(23),2,4,6,19,21-hexaen-11-yl 3,4,5-trihydroxybenzoate is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 3,4,5,13,21,22,23-heptahydroxy-8,18-dioxo-12-(3,4,5-trihydroxybenzoyloxy)-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(23),2,4,6,19,21-hexaen-11-yl 3,4,5-trihydroxybenzoate can be found in a number of food items such as cloves, rose hip, flaxseed, and guava, which makes 3,4,5,13,21,22,23-heptahydroxy-8,18-dioxo-12-(3,4,5-trihydroxybenzoyloxy)-9,14,17-trioxatetracyclo[17.4.0.0²,⁷.0¹⁰,¹⁵]tricosa-1(23),2,4,6,19,21-hexaen-11-yl 3,4,5-trihydroxybenzoate a potential biomarker for the consumption of these food products. 2,3-Di-O-galloyl-4,6-(S)-hexahydroxydiphenoyl-D-glucopyranoseColininCollinin?Cornustannin 3Tellimagrandin IC34H26O22786.557786.0915725163,4,5,13,21,22,23-heptahydroxy-8,18-dioxo-12-(3,4,5-trihydroxybenzoyloxy)-9,14,17-trioxatetracyclo[17.4.0.0^{2,7}.0^{10,15}]tricosa-1(23),2,4,6,19,21-hexaen-11-yl 3,4,5-trihydroxybenzoate3,4,5,13,21,22,23-heptahydroxy-8,18-dioxo-12-(3,4,5-trihydroxybenzoyloxy)-9,14,17-trioxatetracyclo[17.4.0.0^{2,7}.0^{10,15}]tricosa-1(23),2,4,6,19,21-hexaen-11-yl 3,4,5-trihydroxybenzoate30737-92-9OC1OC2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC2C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1InChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(47)55-28-27-18(53-34(51)29(28)56-31(48)9-3-14(37)22(42)15(38)4-9)7-52-32(49)10-5-16(39)23(43)25(45)19(10)20-11(33(50)54-27)6-17(40)24(44)26(20)46/h1-6,18,27-29,34-46,51H,7H2YKDNTEQLKGYZHT-UHFFFAOYSA-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsBenzoyl derivativesCarboxylic acid estersGalloyl estersHemiacetalsHydrocarbon derivativesLactonesMonosaccharidesOrganic oxidesOxacyclic compoundsOxanesPolyolsPyrogallols and derivativesTetracarboxylic acids and derivativesm-Hydroxybenzoic acid estersp-Hydroxybenzoic acid alkyl esters1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidAromatic heteropolycyclic compoundBenzenetriolBenzenoidBenzoate esterBenzoic acid or derivativesBenzoylCarboxylic acid derivativeCarboxylic acid esterGallic acid or derivativesGalloyl esterHemiacetalHydrocarbon derivativeHydrolyzable tanninLactoneM-hydroxybenzoic acid esterMonocyclic benzene moietyMonosaccharideOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleOxaneP-hydroxybenzoic acid alkyl esterP-hydroxybenzoic acid esterPhenolPolyolPyrogallol derivativeTetracarboxylic acid or derivativeslogp2.66logs-2.68solubility1.65e+00 g/llogp2.68pka_strongest_acidic7.34pka_strongest_basic-6.1iupac3,4,5,13,21,22,23-heptahydroxy-8,18-dioxo-12-(3,4,5-trihydroxybenzoyloxy)-9,14,17-trioxatetracyclo[17.4.0.0^{2,7}.0^{10,15}]tricosa-1(23),2,4,6,19,21-hexaen-11-yl 3,4,5-trihydroxybenzoateaverage_mass786.557mono_mass786.091572516smilesOC1OC2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC2C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1=CC(O)=C(O)C(O)=C1formulaC34H26O22inchiInChI=1S/C34H26O22/c35-12-1-8(2-13(36)21(12)41)30(47)55-28-27-18(53-34(51)29(28)56-31(48)9-3-14(37)22(42)15(38)4-9)7-52-32(49)10-5-16(39)23(43)25(45)19(10)20-11(33(50)54-27)6-17(40)24(44)26(20)46/h1-6,18,27-29,34-46,51H,7H2inchikeyYKDNTEQLKGYZHT-UHFFFAOYSA-Npolar_surface_area377.42refractivity178.06polarizability70.91rotatable_bond_count6acceptor_count18donor_count13physiological_charge-1formal_charge0Specdb::MsMs94527Specdb::MsMs94528Specdb::MsMs94529Specdb::MsMs158559Specdb::MsMs158560Specdb::MsMs158561Specdb::MsMs2401586Specdb::MsMs2401587Specdb::MsMs2401588Specdb::MsMs2533392Specdb::MsMs2533393Specdb::MsMs2533394Specdb::CMs73542Specdb::CMs786160Specdb::CMs786161Specdb::CMs786162Specdb::CMs786163Specdb::CMs786164Specdb::CMs786165Specdb::CMs786166Specdb::CMs786167Specdb::CMs786168Specdb::CMs786169Specdb::CMs786170AcornType 1specificQuercus3511ClovesType 1specificSyzygium aromaticum219868FeijoaType 1specificFeijoa sellowiana260130FlaxseedType 1specificLinum usitatissimum4006GuavaType 1specificPsidium guajava120290PomegranateType 1specificPunica granatum22663Rose hipType 1specificRosa3764anti hepatotoxic328Any compound that is able to prevent damage to the liver.anti herpetic329A substance that destroys or inhibits replication of viruses.anti HIV333A substance that destroys or inhibits replication of viruses.anti lipolytic406anti viral689A substance that destroys or inhibits replication of viruses.beta-adrenergic receptor blocker727Any agent that acts on an adrenergic receptor or affects the life cycle of an adrenergic transmitter.xanthine oxidase inhibitor1431An EC 1.17.3.* (oxidoreductase acting on CH or CH2 with oxygen as acceptor) inhibitor that interferes with the action of xanthine oxidase (EC 1.17.3.2).