1.0 2010-04-08 22:13:59 UTC 2019-11-26 03:16:48 UTC FDB018856 Mangiferin 6'-gallate Isolated from leaves of Mangifera indica (mango). Mangiferin 6'-gallate is found in fruits. Mangiferin 6'-gallate C26H22O15 574.4439 574.095870034 [3,4,5-trihydroxy-6-(1,3,6,7-tetrahydroxy-9-oxo-9H-xanthen-2-yl)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate [3,4,5-trihydroxy-6-(1,3,6,7-tetrahydroxy-9-oxoxanthen-2-yl)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate 92631-82-8 OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(C1O)C1=C(O)C2=C(OC3=C(C=C(O)C(O)=C3)C2=O)C=C1O InChI=1S/C26H22O15/c27-9-3-8-14(4-10(9)28)40-15-5-11(29)17(22(35)18(15)19(8)32)25-24(37)23(36)21(34)16(41-25)6-39-26(38)7-1-12(30)20(33)13(31)2-7/h1-5,16,21,23-25,27-31,33-37H,6H2 PIAVWKNSDNBFSQ-UHFFFAOYSA-N belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring. Xanthones Organic compounds Organoheterocyclic compounds Benzopyrans 1-benzopyrans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzoyl derivatives C-glycosyl compounds Carboxylic acid esters Chromones Dialkyl ethers Galloyl esters Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Pyranones and derivatives Pyrogallols and derivatives Secondary alcohols Vinylogous acids 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 or derivatives Benzoyl C-glycosyl compound Carboxylic acid derivative Carboxylic acid ester Chromone Dialkyl ether Ether Gallic acid or derivatives Galloyl ester Glycosyl compound Heteroaromatic compound Hydrocarbon derivative M-hydroxybenzoic acid ester Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Oxane P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Phenol Phenolic glycoside Polyol Pyran Pyranone Pyrogallol derivative Secondary alcohol Vinylogous acid Xanthone logp 1.32 ALOGPS logs -2.65 ALOGPS solubility 1.27e+00 g/l ALOGPS logp 1.22 ChemAxon pka_strongest_acidic 6.99 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac [3,4,5-trihydroxy-6-(1,3,6,7-tetrahydroxy-9-oxo-9H-xanthen-2-yl)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate ChemAxon average_mass 574.4439 ChemAxon mono_mass 574.095870034 ChemAxon smiles OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(C1O)C1=C(O)C2=C(OC3=C(C=C(O)C(O)=C3)C2=O)C=C1O ChemAxon formula C26H22O15 ChemAxon inchi InChI=1S/C26H22O15/c27-9-3-8-14(4-10(9)28)40-15-5-11(29)17(22(35)18(15)19(8)32)25-24(37)23(36)21(34)16(41-25)6-39-26(38)7-1-12(30)20(33)13(31)2-7/h1-5,16,21,23-25,27-31,33-37H,6H2 ChemAxon inchikey PIAVWKNSDNBFSQ-UHFFFAOYSA-N ChemAxon polar_surface_area 264.13 ChemAxon refractivity 133.62 ChemAxon polarizability 54.01 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 13 ChemAxon donor_count 10 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14670 Specdb::CMs 46351 Specdb::CMs 282402 Specdb::CMs 371694 Specdb::CMs 371695 Specdb::CMs 371696 Specdb::CMs 371697 Specdb::CMs 371698 Specdb::CMs 371699 Specdb::CMs 371700 Specdb::CMs 371701 Specdb::CMs 371702 Specdb::CMs 371703 Specdb::CMs 371704 Specdb::CMs 371705 Specdb::CMs 371706 Specdb::CMs 371707 Specdb::CMs 371708 Specdb::CMs 371709 Specdb::CMs 371710 Specdb::CMs 371711 Specdb::CMs 371712 Specdb::CMs 371713 Specdb::CMs 371714 Specdb::CMs 371715 Specdb::MsMs 6713 Specdb::MsMs 6714 Specdb::MsMs 6715 Specdb::MsMs 13385 Specdb::MsMs 13386 Specdb::MsMs 13387 Specdb::MsMs 2779951 Specdb::MsMs 2779952 Specdb::MsMs 2779953 Specdb::MsMs 2925070 Specdb::MsMs 2925071 Specdb::MsMs 2925072 HMDB39306 #<Reference:0x000055ce32c3ff68> Fruits Unknown generic