1.0 2010-04-08 22:13:53 UTC 2019-11-26 03:16:31 UTC FDB018705 1-O-Galloylglycerol Isolated from commercial rhubarb. 1-O-Galloylglycerol is found in green vegetables and garden rhubarb. C10H12O7 244.1981 244.058302738 2,3-dihydroxypropyl 3,4,5-trihydroxybenzoate 2,3-dihydroxypropyl 3,4,5-trihydroxybenzoate 87087-60-3 OCC(O)COC(=O)C1=CC(O)=C(O)C(O)=C1 InChI=1S/C10H12O7/c11-3-6(12)4-17-10(16)5-1-7(13)9(15)8(14)2-5/h1-2,6,11-15H,3-4H2 PDEQYQCQYAQJPN-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 homomonocyclic compounds 1,2-diols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzoyl derivatives Carboxylic acid esters Glycerolipids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Primary alcohols Pyrogallols and derivatives Secondary alcohols m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1,2-diol 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alcohol Aromatic homomonocyclic compound Benzenetriol Benzoate ester Benzoyl Carboxylic acid derivative Carboxylic acid ester Galloyl ester Glycerolipid Hydrocarbon derivative M-hydroxybenzoic acid ester Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Phenol Polyol Primary alcohol Pyrogallol derivative Secondary alcohol logp -0.62 ALOGPS logs -1.81 ALOGPS solubility 3.82e+00 g/l ALOGPS melting_point Mp 188-190° logp -0.25 ChemAxon pka_strongest_acidic 8.11 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2,3-dihydroxypropyl 3,4,5-trihydroxybenzoate ChemAxon average_mass 244.1981 ChemAxon mono_mass 244.058302738 ChemAxon smiles OCC(O)COC(=O)C1=CC(O)=C(O)C(O)=C1 ChemAxon formula C10H12O7 ChemAxon inchi InChI=1S/C10H12O7/c11-3-6(12)4-17-10(16)5-1-7(13)9(15)8(14)2-5/h1-2,6,11-15H,3-4H2 ChemAxon inchikey PDEQYQCQYAQJPN-UHFFFAOYSA-N ChemAxon polar_surface_area 127.45 ChemAxon refractivity 56.28 ChemAxon polarizability 22.83 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 58494 Specdb::MsMs 58495 Specdb::MsMs 58496 Specdb::MsMs 114435 Specdb::MsMs 114436 Specdb::MsMs 114437 Specdb::MsMs 2361419 Specdb::MsMs 2361420 Specdb::MsMs 2361421 Specdb::MsMs 2600879 Specdb::MsMs 2600880 Specdb::MsMs 2600881 Specdb::CMs 16695 Specdb::CMs 46304 Specdb::CMs 134138 Specdb::CMs 141872 Specdb::NmrOneD 31582 Specdb::NmrOneD 31583 Specdb::NmrOneD 31584 Specdb::NmrOneD 31585 Specdb::NmrOneD 31586 Specdb::NmrOneD 31587 Specdb::NmrOneD 31588 Specdb::NmrOneD 31589 Specdb::NmrOneD 31590 Specdb::NmrOneD 31591 Specdb::NmrOneD 31592 Specdb::NmrOneD 31593 Specdb::NmrOneD 31594 Specdb::NmrOneD 31595 Specdb::NmrOneD 31596 Specdb::NmrOneD 31597 Specdb::NmrOneD 31598 Specdb::NmrOneD 31599 Specdb::NmrOneD 31600 Specdb::NmrOneD 31601 HMDB39177 #<Reference:0x000055ce31f69488> Garden rhubarb Type 1 specific Rheum rhabarbarum 3621 Green vegetables Unknown generic