1.0 2010-04-08 22:13:57 UTC 2019-11-26 03:16:45 UTC FDB018826 2-O-Galloylsucrose Isolated from the commercial Chinese rhubarb (Rheum subspecies). 2-O-Galloylsucrose is found in green vegetables. 2-O-Galloylsucrose C19H26O15 494.4007 494.127170162 2-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate 2-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate 115713-46-7 OCC1OC(CO)(OC2OC(CO)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O InChI=1S/C19H26O15/c20-3-9-12(26)14(28)15(32-17(30)6-1-7(23)11(25)8(24)2-6)18(31-9)34-19(5-22)16(29)13(27)10(4-21)33-19/h1-2,9-10,12-16,18,20-29H,3-5H2 LNFBBISCIPAUAE-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 -1.44 ALOGPS logs -1.06 ALOGPS solubility 4.32e+01 g/l ALOGPS logp -2.9 ChemAxon pka_strongest_acidic 8.1 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 2-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-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)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O ChemAxon formula C19H26O15 ChemAxon inchi InChI=1S/C19H26O15/c20-3-9-12(26)14(28)15(32-17(30)6-1-7(23)11(25)8(24)2-6)18(31-9)34-19(5-22)16(29)13(27)10(4-21)33-19/h1-2,9-10,12-16,18,20-29H,3-5H2 ChemAxon inchikey LNFBBISCIPAUAE-UHFFFAOYSA-N ChemAxon polar_surface_area 256.29 ChemAxon refractivity 104.54 ChemAxon polarizability 45.22 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 14 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20488 Specdb::CMs 46342 Specdb::CMs 167181 Specdb::NmrOneD 31922 Specdb::NmrOneD 31923 Specdb::NmrOneD 31924 Specdb::NmrOneD 31925 Specdb::NmrOneD 31926 Specdb::NmrOneD 31927 Specdb::NmrOneD 31928 Specdb::NmrOneD 31929 Specdb::NmrOneD 31930 Specdb::NmrOneD 31931 Specdb::NmrOneD 31932 Specdb::NmrOneD 31933 Specdb::NmrOneD 31934 Specdb::NmrOneD 31935 Specdb::NmrOneD 31936 Specdb::NmrOneD 31937 Specdb::NmrOneD 31938 Specdb::NmrOneD 31939 Specdb::NmrOneD 31940 Specdb::NmrOneD 31941 Specdb::MsMs 11936 Specdb::MsMs 11937 Specdb::MsMs 11938 Specdb::MsMs 18608 Specdb::MsMs 18609 Specdb::MsMs 18610 Specdb::MsMs 2399124 Specdb::MsMs 2399125 Specdb::MsMs 2399126 Specdb::MsMs 2536163 Specdb::MsMs 2536164 Specdb::MsMs 2536165 HMDB39281 #<Reference:0x000055ce32921fc0> Green vegetables Unknown generic