1.0 2010-04-08 22:13:56 UTC 2019-11-26 03:16:42 UTC FDB018800 Sanguiin H7 Isolated from the underground parts of Sanguisorba officinalis (burnet bloodwort). Sanguiin H7 is found in alcoholic beverages and herbs and spices. 2-O-Galloyl-4,6-(S)-sanguisorboyl-D-glucopyranose C34H26O23 802.5564 802.086487138 3,4-dihydroxy-5-{[(10S,11S,12R,15R)-3,4,5,11,13,21,22,23-octahydroxy-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(7),3,5,19,21-hexaen-6-yl]oxy}benzoic acid 3,4-dihydroxy-5-{[(10S,11S,12R,15R)-3,4,5,11,13,21,22,23-octahydroxy-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(7),3,5,19,21-hexaen-6-yl]oxy}benzoic acid 98917-86-3 OC1O[C@@H]2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C(OC4=CC(=CC(O)=C4O)C(O)=O)=C3C(=O)O[C@H]2[C@H](O)[C@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1 InChI=1S/C34H26O23/c35-10-2-8(3-11(36)19(10)39)31(49)57-29-26(46)27-15(55-34(29)52)6-53-32(50)9-5-13(38)21(41)22(42)16(9)17-18(33(51)56-27)28(25(45)24(44)23(17)43)54-14-4-7(30(47)48)1-12(37)20(14)40/h1-5,15,26-27,29,34-46,52H,6H2,(H,47,48)/t15-,26+,27-,29-,34?/m1/s1 HXYRQUDFZHPNHQ-FXHHQGBHSA-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-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzoic acids Benzoyl derivatives Carboxylic acid esters Carboxylic acids Catechols Diarylethers Galloyl esters Hemiacetals Hydrocarbon derivatives Lactones Monosaccharides Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenoxy compounds Polyols Pyrogallols and derivatives Secondary alcohols Tetracarboxylic acids and derivatives m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alcohol Aromatic heteropolycyclic compound Benzenetriol Benzenoid Benzoate ester Benzoic acid Benzoic acid or derivatives Benzoyl Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Catechol Diaryl ether Dihydroxybenzoic acid Ether Gallic acid or derivatives Galloyl ester Hemiacetal Hydrocarbon derivative Hydrolyzable tannin Hydroxybenzoic acid Lactone M-hydroxybenzoic acid ester Monocyclic benzene moiety Monosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Phenol Phenol ether Phenoxy compound Polyol Pyrogallol derivative Secondary alcohol Tetracarboxylic acid or derivatives logp 2.41 ALOGPS logs -2.70 ALOGPS solubility 1.61e+00 g/l ALOGPS logp 1.65 ChemAxon pka_strongest_acidic 3.92 ChemAxon pka_strongest_basic -6.1 ChemAxon iupac 3,4-dihydroxy-5-{[(10S,11S,12R,15R)-3,4,5,11,13,21,22,23-octahydroxy-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(7),3,5,19,21-hexaen-6-yl]oxy}benzoic acid ChemAxon average_mass 802.5564 ChemAxon mono_mass 802.086487138 ChemAxon smiles OC1O[C@@H]2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C(OC4=CC(=CC(O)=C4O)C(O)=O)=C3C(=O)O[C@H]2[C@H](O)[C@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1 ChemAxon formula C34H26O23 ChemAxon inchi InChI=1S/C34H26O23/c35-10-2-8(3-11(36)19(10)39)31(49)57-29-26(46)27-15(55-34(29)52)6-53-32(50)9-5-13(38)21(41)22(42)16(9)17-18(33(51)56-27)28(25(45)24(44)23(17)43)54-14-4-7(30(47)48)1-12(37)20(14)40/h1-5,15,26-27,29,34-46,52H,6H2,(H,47,48)/t15-,26+,27-,29-,34?/m1/s1 ChemAxon inchikey HXYRQUDFZHPNHQ-FXHHQGBHSA-N ChemAxon polar_surface_area 397.65 ChemAxon refractivity 179.75 ChemAxon polarizability 71.74 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 19 ChemAxon donor_count 14 ChemAxon physiological_charge -3 ChemAxon formal_charge 0 ChemAxon HMDB39261 #<Reference:0x000055ce32ffd380> Alcoholic beverages Unknown generic Herbs and Spices Unknown generic