1.0 2010-04-08 22:14:59 UTC 2018-05-29 01:46:21 UTC FDB020390 (1xi,2xi)-1-(4-Hydroxyphenyl)-1,2,3-propanetriol 3-O-beta-D-Glucopyranoside Constituent of Pinus sylvestris (Scotch pine) C15H22O9 346.3298 346.126382302 2-[2,3-dihydroxy-3-(4-hydroxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 2-[2,3-dihydroxy-3-(4-hydroxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 67151-73-9 OCC1OC(OCC(O)C(O)C2=CC=C(O)C=C2)C(O)C(O)C1O InChI=1S/C15H22O9/c16-5-10-12(20)13(21)14(22)15(24-10)23-6-9(18)11(19)7-1-3-8(17)4-2-7/h1-4,9-22H,5-6H2 PUGXDKPZBZICDX-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Fatty acyl glycosides of mono- and disaccharides Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Acetals Alkyl glycosides Aromatic alcohols Benzene and substituted derivatives Hexoses Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols 1-hydroxy-2-unsubstituted benzenoid Acetal Alcohol Alkyl glycoside Aromatic alcohol Aromatic heteromonocyclic compound Benzenoid Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Polyol Primary alcohol Secondary alcohol logp -1.79 ALOGPS logs -1.21 ALOGPS solubility 2.15e+01 g/l ALOGPS logp -2.1 ChemAxon pka_strongest_acidic 9.47 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-[2,3-dihydroxy-3-(4-hydroxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 346.3298 ChemAxon mono_mass 346.126382302 ChemAxon smiles OCC1OC(OCC(O)C(O)C2=CC=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C15H22O9 ChemAxon inchi InChI=1S/C15H22O9/c16-5-10-12(20)13(21)14(22)15(24-10)23-6-9(18)11(19)7-1-3-8(17)4-2-7/h1-4,9-22H,5-6H2 ChemAxon inchikey PUGXDKPZBZICDX-UHFFFAOYSA-N ChemAxon polar_surface_area 160.07 ChemAxon refractivity 79.19 ChemAxon polarizability 34.05 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 9 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 42262 Specdb::NmrOneD 42263 Specdb::NmrOneD 42264 Specdb::NmrOneD 42265 Specdb::NmrOneD 42266 Specdb::NmrOneD 42267 Specdb::NmrOneD 42268 Specdb::NmrOneD 42269 Specdb::NmrOneD 42270 Specdb::NmrOneD 42271 Specdb::NmrOneD 42272 Specdb::NmrOneD 42273 Specdb::NmrOneD 42274 Specdb::NmrOneD 42275 Specdb::NmrOneD 42276 Specdb::NmrOneD 42277 Specdb::NmrOneD 42278 Specdb::NmrOneD 42279 Specdb::NmrOneD 42280 Specdb::NmrOneD 42281 Specdb::CMs 22413 Specdb::CMs 46852 Specdb::CMs 146886 Specdb::MsMs 315826 Specdb::MsMs 315827 Specdb::MsMs 315828 Specdb::MsMs 361912 Specdb::MsMs 361913 Specdb::MsMs 361914 Specdb::MsMs 3035126 Specdb::MsMs 3035127 Specdb::MsMs 3035128 Specdb::MsMs 3104786 Specdb::MsMs 3104787 Specdb::MsMs 3104788 HMDB40602 #<Reference:0x000055ce335ed560>