1.02010-04-08 22:13:59 UTC2019-11-26 03:16:48 UTCFDB018856Mangiferin 6'-gallateIsolated from leaves of Mangifera indica (mango). Mangiferin 6'-gallate is found in fruits.Mangiferin 6'-gallateC26H22O15574.4439574.095870034[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-trihydroxybenzoate92631-82-8OC1C(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=C1OInChI=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,6H2PIAVWKNSDNBFSQ-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.XanthonesOrganic compoundsOrganoheterocyclic compoundsBenzopyrans1-benzopyransAromatic heteropolycyclic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsBenzoyl derivativesC-glycosyl compoundsCarboxylic acid estersChromonesDialkyl ethersGalloyl estersHeteroaromatic compoundsHydrocarbon derivativesMonocarboxylic acids and derivativesMonosaccharidesOrganic oxidesOxacyclic compoundsOxanesPhenolic glycosidesPolyolsPyranones and derivativesPyrogallols and derivativesSecondary alcoholsVinylogous acidsm-Hydroxybenzoic acid estersp-Hydroxybenzoic acid alkyl esters1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidAlcoholAromatic heteropolycyclic compoundBenzenetriolBenzenoidBenzoate esterBenzoic acid or derivativesBenzoylC-glycosyl compoundCarboxylic acid derivativeCarboxylic acid esterChromoneDialkyl etherEtherGallic acid or derivativesGalloyl esterGlycosyl compoundHeteroaromatic compoundHydrocarbon derivativeM-hydroxybenzoic acid esterMonocarboxylic acid or derivativesMonocyclic benzene moietyMonosaccharideOrganic oxideOrganic oxygen compoundOrganooxygen compoundOxacycleOxaneP-hydroxybenzoic acid alkyl esterP-hydroxybenzoic acid esterPhenolPhenolic glycosidePolyolPyranPyranonePyrogallol derivativeSecondary alcoholVinylogous acidXanthonelogp1.32logs-2.65solubility1.27e+00 g/llogp1.22pka_strongest_acidic6.99pka_strongest_basic-3.7iupac[3,4,5-trihydroxy-6-(1,3,6,7-tetrahydroxy-9-oxo-9H-xanthen-2-yl)oxan-2-yl]methyl 3,4,5-trihydroxybenzoateaverage_mass574.4439mono_mass574.095870034smilesOC1C(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=C1OformulaC26H22O15inchiInChI=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,6H2inchikeyPIAVWKNSDNBFSQ-UHFFFAOYSA-Npolar_surface_area264.13refractivity133.62polarizability54.01rotatable_bond_count5acceptor_count13donor_count10physiological_charge-1formal_charge0Specdb::CMs14670Specdb::CMs46351Specdb::CMs282402Specdb::CMs371694Specdb::CMs371695Specdb::CMs371696Specdb::CMs371697Specdb::CMs371698Specdb::CMs371699Specdb::CMs371700Specdb::CMs371701Specdb::CMs371702Specdb::CMs371703Specdb::CMs371704Specdb::CMs371705Specdb::CMs371706Specdb::CMs371707Specdb::CMs371708Specdb::CMs371709Specdb::CMs371710Specdb::CMs371711Specdb::CMs371712Specdb::CMs371713Specdb::CMs371714Specdb::CMs371715Specdb::MsMs13385Specdb::MsMs13386Specdb::MsMs13387Specdb::MsMs2925070Specdb::MsMs2925071Specdb::MsMs2925072Specdb::MsMs6713Specdb::MsMs6714Specdb::MsMs6715Specdb::MsMs2779951Specdb::MsMs2779952Specdb::MsMs2779953HMDB39306#<Reference:0x0000555675bd7628>FruitsUnknowngeneric