1.0 2010-04-08 22:04:50 UTC 2025-11-18 22:28:03 UTC FDB001100 Sanguiin H4 Isolated from Sanguisorba officinalis (burnet bloodwort). Sanguiin H4 is found in tea and herbs and spices. 1-O-Galloyl-2,3-(S)-hexahydroxydiphenoyl-a-D-glucopyranose Sanguiin H4 C27H22O18 634.4528 634.0806139 3,4,5,14,20,21,22-heptahydroxy-13-(hydroxymethyl)-8,17-dioxo-9,12,16-trioxatetracyclo[16.4.0.0²,⁷.0¹⁰,¹⁵]docosa-1(22),2(7),3,5,18,20-hexaen-11-yl 3,4,5-trihydroxybenzoate 3,4,5,14,20,21,22-heptahydroxy-13-(hydroxymethyl)-8,17-dioxo-9,12,16-trioxatetracyclo[16.4.0.0²,⁷.0¹⁰,¹⁵]docosa-1(22),2(7),3,5,18,20-hexaen-11-yl 3,4,5-trihydroxybenzoate 84316-77-8 OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C2OC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC2C1O InChI=1S/C27H22O18/c28-5-13-19(36)22-23(27(42-13)45-24(39)6-1-9(29)16(33)10(30)2-6)44-26(41)8-4-12(32)18(35)21(38)15(8)14-7(25(40)43-22)3-11(31)17(34)20(14)37/h1-4,13,19,22-23,27-38H,5H2 MBPYHNAWMKVREM-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 tannins Organic compounds Phenylpropanoids and polyketides Tannins Hydrolyzable tannins Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Benzoyl derivatives Carboxylic acid esters Galloyl esters Hydrocarbon derivatives Lactones Monosaccharides Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Pyrogallols and derivatives Secondary alcohols Tricarboxylic acids and derivatives m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenetriol Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl Carboxylic acid derivative Carboxylic acid ester Gallic acid or derivatives Galloyl ester Hydrocarbon derivative Hydrolyzable tannin 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 Polyol Primary alcohol Pyrogallol derivative Secondary alcohol Tricarboxylic acid or derivatives logp 1.69 ALOGPS logs -2.25 ALOGPS solubility 3.55e+00 g/l ALOGPS logp 1.1 ChemAxon pka_strongest_acidic 7.41 ChemAxon pka_strongest_basic -5.5 ChemAxon iupac 3,4,5,14,20,21,22-heptahydroxy-13-(hydroxymethyl)-8,17-dioxo-9,12,16-trioxatetracyclo[16.4.0.0²,⁷.0¹⁰,¹⁵]docosa-1(22),2(7),3,5,18,20-hexaen-11-yl 3,4,5-trihydroxybenzoate ChemAxon average_mass 634.4528 ChemAxon mono_mass 634.0806139 ChemAxon smiles OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C2OC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C(O)C=C3C(=O)OC2C1O ChemAxon formula C27H22O18 ChemAxon inchi InChI=1S/C27H22O18/c28-5-13-19(36)22-23(27(42-13)45-24(39)6-1-9(29)16(33)10(30)2-6)44-26(41)8-4-12(32)18(35)21(38)15(8)14-7(25(40)43-22)3-11(31)17(34)20(14)37/h1-4,13,19,22-23,27-38H,5H2 ChemAxon inchikey MBPYHNAWMKVREM-UHFFFAOYSA-N ChemAxon polar_surface_area 310.66 ChemAxon refractivity 142.3 ChemAxon polarizability 57.31 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 15 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 60690 Specdb::MsMs 60691 Specdb::MsMs 60692 Specdb::MsMs 117060 Specdb::MsMs 117061 Specdb::MsMs 117062 Specdb::MsMs 2423045 Specdb::MsMs 2423046 Specdb::MsMs 2423047 Specdb::MsMs 2513315 Specdb::MsMs 2513316 Specdb::MsMs 2513317 Specdb::CMs 16165 Specdb::CMs 589460 Specdb::CMs 589461 Specdb::CMs 589462 Specdb::CMs 589463 Specdb::CMs 589464 Specdb::CMs 589465 Specdb::CMs 589466 Specdb::CMs 589467 Specdb::CMs 589468 Specdb::CMs 589469 Specdb::CMs 589470 Specdb::CMs 589471 Specdb::CMs 589472 Specdb::CMs 589473 Specdb::CMs 589474 Specdb::CMs 589475 Specdb::CMs 589476 Specdb::CMs 589477 Specdb::CMs 589478 Specdb::CMs 589479 Specdb::CMs 589480 Specdb::CMs 589481 Specdb::CMs 589482 Specdb::CMs 589483 HMDB0029871 Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442