1.0 2010-04-08 22:14:01 UTC 2019-11-26 03:16:53 UTC FDB018910 Methyl 6-O-galloyl-beta-D-glucopyranoside Tannin constituent of burnet bloodwort (Sanguisorba officinalis). Methyl 6-O-galloyl-beta-D-glucopyranoside is found in green vegetables. 2-Fluoro-2,2-dinitroethyl carbonate(2:1) Bis(2-fluoro-2,2-bis(hydroxy(oxido)amino)ethyl) carbonate Methyl 6-O-galloyl-b-D-glucopyranoside C14H18O10 346.2867 346.089996796 (3,4,5-trihydroxy-6-methoxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate (3,4,5-trihydroxy-6-methoxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate 88647-06-7 COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O InChI=1S/C14H18O10/c1-22-14-12(20)11(19)10(18)8(24-14)4-23-13(21)5-2-6(15)9(17)7(16)3-5/h2-3,8,10-12,14-20H,4H2,1H3 FNCIIGZVDLRIDE-UHFFFAOYSA-N belongs to the class of organic compounds known as galloyl esters. These are organic compounds that contain an ester derivative of 3,4,5-trihydroxybenzoic acid. Galloyl esters Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Benzoyl derivatives Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Pyrogallols and derivatives Secondary alcohols m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Aromatic heteromonocyclic compound Benzenetriol Benzoate ester Benzoyl Carboxylic acid derivative Carboxylic acid ester Galloyl ester Glycosyl compound Hydrocarbon derivative M-hydroxybenzoic acid ester Monocarboxylic acid or derivatives Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Phenol Polyol Pyrogallol derivative Secondary alcohol logp -0.91 ALOGPS logs -1.45 ALOGPS solubility 1.22e+01 g/l ALOGPS logp -0.7 ChemAxon pka_strongest_acidic 8.11 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac (3,4,5-trihydroxy-6-methoxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate ChemAxon average_mass 346.2867 ChemAxon mono_mass 346.089996796 ChemAxon smiles COC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O ChemAxon formula C14H18O10 ChemAxon inchi InChI=1S/C14H18O10/c1-22-14-12(20)11(19)10(18)8(24-14)4-23-13(21)5-2-6(15)9(17)7(16)3-5/h2-3,8,10-12,14-20H,4H2,1H3 ChemAxon inchikey FNCIIGZVDLRIDE-UHFFFAOYSA-N ChemAxon polar_surface_area 166.14 ChemAxon refractivity 76.44 ChemAxon polarizability 32.55 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 9 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24395 Specdb::CMs 46374 Specdb::CMs 150561 Specdb::MsMs 95895 Specdb::MsMs 95896 Specdb::MsMs 95897 Specdb::MsMs 160263 Specdb::MsMs 160264 Specdb::MsMs 160265 Specdb::MsMs 2768153 Specdb::MsMs 2768154 Specdb::MsMs 2768155 Specdb::MsMs 2913332 Specdb::MsMs 2913333 Specdb::MsMs 2913334 Specdb::NmrOneD 32442 Specdb::NmrOneD 32443 Specdb::NmrOneD 32444 Specdb::NmrOneD 32445 Specdb::NmrOneD 32446 Specdb::NmrOneD 32447 Specdb::NmrOneD 32448 Specdb::NmrOneD 32449 Specdb::NmrOneD 32450 Specdb::NmrOneD 32451 Specdb::NmrOneD 32452 Specdb::NmrOneD 32453 Specdb::NmrOneD 32454 Specdb::NmrOneD 32455 Specdb::NmrOneD 32456 Specdb::NmrOneD 32457 Specdb::NmrOneD 32458 Specdb::NmrOneD 32459 Specdb::NmrOneD 32460 Specdb::NmrOneD 32461 HMDB39354 #<Reference:0x000055ce323b5eb0> Green vegetables Unknown generic