1.0 2010-04-08 22:13:57 UTC 2025-11-19 02:15:04 UTC FDB018817 Isostrictinin Tannin constituent isolated from the leaf of Psidium guajava (guava) and from underground parts of Sanguisorba officinalis (burnet bloodwort). Isostrictinin is found in many foods, some of which are fruits, guava, tea, and herbs and spices. 1-O-Galloyl-2,3-(S)-hexahydroxydiphenoyl-b-D-glucopyranose Isostrictinin Sanguiin H5 C27H22O18 634.4528 634.0806139 (10R,11S,13R,14R,15S)-3,4,5,14,20,21,22-heptahydroxy-13-(hydroxymethyl)-8,17-dioxo-9,12,16-trioxatetracyclo[16.4.0.0^{2,7}.0^{10,15}]docosa-1(22),2,4,6,18,20-hexaen-11-yl 3,4,5-trihydroxybenzoate (10R,11S,13R,14R,15S)-3,4,5,14,20,21,22-heptahydroxy-13-(hydroxymethyl)-8,17-dioxo-9,12,16-trioxatetracyclo[16.4.0.0^{2,7}.0^{10,15}]docosa-1(22),2,4,6,18,20-hexaen-11-yl 3,4,5-trihydroxybenzoate 84316-77-8 OC[C@H]1O[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H]2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)O[C@H]2[C@@H]1O 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/t13-,19-,22+,23-,27+/m1/s1 MBPYHNAWMKVREM-BDYNXYCRSA-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 (10R,11S,13R,14R,15S)-3,4,5,14,20,21,22-heptahydroxy-13-(hydroxymethyl)-8,17-dioxo-9,12,16-trioxatetracyclo[16.4.0.0^{2,7}.0^{10,15}]docosa-1(22),2,4,6,18,20-hexaen-11-yl 3,4,5-trihydroxybenzoate ChemAxon average_mass 634.4528 ChemAxon mono_mass 634.0806139 ChemAxon smiles OC[C@H]1O[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H]2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(O)C(O)=C3O)C(=O)O[C@H]2[C@@H]1O 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/t13-,19-,22+,23-,27+/m1/s1 ChemAxon inchikey MBPYHNAWMKVREM-BDYNXYCRSA-N ChemAxon polar_surface_area 310.66 ChemAxon refractivity 142.3 ChemAxon polarizability 57.37 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 15 ChemAxon donor_count 11 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon HMDB29871 #<Reference:0x000055ce31eae7c8> Black tea Type 1 Fruits Unknown generic Green tea Type 1 Guava Type 1 specific Psidium guajava 120290 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442