1.0 2010-04-08 22:13:57 UTC 2019-11-26 03:16:45 UTC FDB018829 4'-O-Galloylsucrose Tannin constituent of commercial Chinese rhubarb (Rheum subspecies). 4'-O-Galloylsucrose is found in green vegetables. 4'-O-Galloylsucrose C19H26O15 494.4007 494.127170162 4-hydroxy-2,5-bis(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-3-yl 3,4,5-trihydroxybenzoate 4-hydroxy-2,5-bis(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-3-yl 3,4,5-trihydroxybenzoate 115713-44-5 OCC1OC(CO)(OC2OC(CO)C(O)C(O)C2O)C(O)C1OC(=O)C1=CC(O)=C(O)C(O)=C1 InChI=1S/C19H26O15/c20-3-9-12(26)13(27)14(28)18(31-9)34-19(5-22)16(29)15(10(4-21)33-19)32-17(30)6-1-7(23)11(25)8(24)2-6/h1-2,9-10,12-16,18,20-29H,3-5H2 VQNOKSMTUKSLMO-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 Benzoyl derivatives C-glycosyl compounds Carboxylic acid esters Disaccharides Hydrocarbon derivatives Ketals Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Pyrogallols and derivatives Secondary alcohols Tetrahydrofurans 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 C-glycosyl compound Carboxylic acid derivative Carboxylic acid ester Disaccharide Galloyl ester Glycosyl compound Hydrocarbon derivative Ketal M-hydroxybenzoic acid ester Monocarboxylic acid or derivatives 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 Primary alcohol Pyrogallol derivative Secondary alcohol Tetrahydrofuran logp -1.47 ALOGPS logs -1.11 ALOGPS solubility 3.80e+01 g/l ALOGPS logp -2.9 ChemAxon pka_strongest_acidic 8.1 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 4-hydroxy-2,5-bis(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-3-yl 3,4,5-trihydroxybenzoate ChemAxon average_mass 494.4007 ChemAxon mono_mass 494.127170162 ChemAxon smiles OCC1OC(CO)(OC2OC(CO)C(O)C(O)C2O)C(O)C1OC(=O)C1=CC(O)=C(O)C(O)=C1 ChemAxon formula C19H26O15 ChemAxon inchi InChI=1S/C19H26O15/c20-3-9-12(26)13(27)14(28)18(31-9)34-19(5-22)16(29)15(10(4-21)33-19)32-17(30)6-1-7(23)11(25)8(24)2-6/h1-2,9-10,12-16,18,20-29H,3-5H2 ChemAxon inchikey VQNOKSMTUKSLMO-UHFFFAOYSA-N ChemAxon polar_surface_area 256.29 ChemAxon refractivity 104.54 ChemAxon polarizability 44.78 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 14 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20582 Specdb::CMs 46345 Specdb::CMs 130581 Specdb::CMs 138315 Specdb::NmrOneD 31982 Specdb::NmrOneD 31983 Specdb::NmrOneD 31984 Specdb::NmrOneD 31985 Specdb::NmrOneD 31986 Specdb::NmrOneD 31987 Specdb::NmrOneD 31988 Specdb::NmrOneD 31989 Specdb::NmrOneD 31990 Specdb::NmrOneD 31991 Specdb::NmrOneD 31992 Specdb::NmrOneD 31993 Specdb::NmrOneD 31994 Specdb::NmrOneD 31995 Specdb::NmrOneD 31996 Specdb::NmrOneD 31997 Specdb::NmrOneD 31998 Specdb::NmrOneD 31999 Specdb::NmrOneD 32000 Specdb::NmrOneD 32001 Specdb::MsMs 80193 Specdb::MsMs 80194 Specdb::MsMs 80195 Specdb::MsMs 140997 Specdb::MsMs 140998 Specdb::MsMs 140999 Specdb::MsMs 2357577 Specdb::MsMs 2357578 Specdb::MsMs 2357579 Specdb::MsMs 2608845 Specdb::MsMs 2608846 Specdb::MsMs 2608847 HMDB39284 #<Reference:0x000055ce32b07218> Green vegetables Unknown generic