1.0 2010-04-08 22:13:57 UTC 2019-11-26 03:16:45 UTC FDB018828 1'-O-Galloylsucrose A tannin isolated from commercial Chinese rhubarb (Rheum subspecies). 1'-O-Galloylsucrose is found in green vegetables. 1'-O-Galloylsucrose C19H26O15 494.4007 494.127170162 [3,4-dihydroxy-5-(hydroxymethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate [3,4-dihydroxy-5-(hydroxymethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate 115713-45-6 OCC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)(OC2OC(CO)C(O)C(O)C2O)C(O)C1O InChI=1S/C19H26O15/c20-3-9-12(25)14(27)15(28)18(32-9)34-19(16(29)13(26)10(4-21)33-19)5-31-17(30)6-1-7(22)11(24)8(23)2-6/h1-2,9-10,12-16,18,20-29H,3-5H2 XPQHIVBLCNQLEF-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 -1.50 ALOGPS logs -1.12 ALOGPS solubility 3.78e+01 g/l ALOGPS logp -2.9 ChemAxon pka_strongest_acidic 8.11 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac [3,4-dihydroxy-5-(hydroxymethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate ChemAxon average_mass 494.4007 ChemAxon mono_mass 494.127170162 ChemAxon smiles OCC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)(OC2OC(CO)C(O)C(O)C2O)C(O)C1O ChemAxon formula C19H26O15 ChemAxon inchi InChI=1S/C19H26O15/c20-3-9-12(25)14(27)15(28)18(32-9)34-19(16(29)13(26)10(4-21)33-19)5-31-17(30)6-1-7(22)11(24)8(23)2-6/h1-2,9-10,12-16,18,20-29H,3-5H2 ChemAxon inchikey XPQHIVBLCNQLEF-UHFFFAOYSA-N ChemAxon polar_surface_area 256.29 ChemAxon refractivity 104.54 ChemAxon polarizability 45.34 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 14 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24389 Specdb::CMs 46344 Specdb::CMs 133238 Specdb::CMs 140972 Specdb::NmrOneD 31962 Specdb::NmrOneD 31963 Specdb::NmrOneD 31964 Specdb::NmrOneD 31965 Specdb::NmrOneD 31966 Specdb::NmrOneD 31967 Specdb::NmrOneD 31968 Specdb::NmrOneD 31969 Specdb::NmrOneD 31970 Specdb::NmrOneD 31971 Specdb::NmrOneD 31972 Specdb::NmrOneD 31973 Specdb::NmrOneD 31974 Specdb::NmrOneD 31975 Specdb::NmrOneD 31976 Specdb::NmrOneD 31977 Specdb::NmrOneD 31978 Specdb::NmrOneD 31979 Specdb::NmrOneD 31980 Specdb::NmrOneD 31981 Specdb::MsMs 108993 Specdb::MsMs 108994 Specdb::MsMs 108995 Specdb::MsMs 176334 Specdb::MsMs 176335 Specdb::MsMs 176336 Specdb::MsMs 2350996 Specdb::MsMs 2350997 Specdb::MsMs 2350998 Specdb::MsMs 2588605 Specdb::MsMs 2588606 Specdb::MsMs 2588607 HMDB39283 #<Reference:0x000055ce3181b4d8> Green vegetables Unknown generic