1.0 2010-04-08 22:14:59 UTC 2025-11-19 02:31:07 UTC FDB020389 (1xi,2xi)-1-(4-Hydroxyphenyl)-1,2,3-propanetriol 2-O-beta-D-glucopyranoside Constituent of Pinus sylvestris (Scotch pine) C15H22O9 346.3298 346.126382302 2-{[1,3-dihydroxy-1-(4-hydroxyphenyl)propan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[1,3-dihydroxy-1-(4-hydroxyphenyl)propan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 84744-60-5 OCC(OC1OC(CO)C(O)C(O)C1O)C(O)C1=CC=C(O)C=C1 InChI=1S/C15H22O9/c16-5-9(11(19)7-1-3-8(18)4-2-7)23-15-14(22)13(21)12(20)10(6-17)24-15/h1-4,9-22H,5-6H2 NHBYOQPNAVRZAE-UHFFFAOYSA-N belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. O-glycosyl compounds Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Acetals Aromatic alcohols Benzene and substituted derivatives Hexoses Hydrocarbon derivatives Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols 1-hydroxy-2-unsubstituted benzenoid Acetal Alcohol Aromatic alcohol Aromatic heteromonocyclic compound Benzenoid Hexose monosaccharide Hydrocarbon derivative Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Phenol Polyol Primary alcohol Secondary alcohol logp -1.83 ALOGPS logs -1.15 ALOGPS solubility 2.47e+01 g/l ALOGPS logp -2.1 ChemAxon pka_strongest_acidic 9.47 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-{[1,3-dihydroxy-1-(4-hydroxyphenyl)propan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 346.3298 ChemAxon mono_mass 346.126382302 ChemAxon smiles OCC(OC1OC(CO)C(O)C(O)C1O)C(O)C1=CC=C(O)C=C1 ChemAxon formula C15H22O9 ChemAxon inchi InChI=1S/C15H22O9/c16-5-9(11(19)7-1-3-8(18)4-2-7)23-15-14(22)13(21)12(20)10(6-17)24-15/h1-4,9-22H,5-6H2 ChemAxon inchikey NHBYOQPNAVRZAE-UHFFFAOYSA-N ChemAxon polar_surface_area 160.07 ChemAxon refractivity 79.19 ChemAxon polarizability 33.45 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 9 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 42242 Specdb::NmrOneD 42243 Specdb::NmrOneD 42244 Specdb::NmrOneD 42245 Specdb::NmrOneD 42246 Specdb::NmrOneD 42247 Specdb::NmrOneD 42248 Specdb::NmrOneD 42249 Specdb::NmrOneD 42250 Specdb::NmrOneD 42251 Specdb::NmrOneD 42252 Specdb::NmrOneD 42253 Specdb::NmrOneD 42254 Specdb::NmrOneD 42255 Specdb::NmrOneD 42256 Specdb::NmrOneD 42257 Specdb::NmrOneD 42258 Specdb::NmrOneD 42259 Specdb::NmrOneD 42260 Specdb::NmrOneD 42261 Specdb::MsMs 321286 Specdb::MsMs 321287 Specdb::MsMs 321288 Specdb::MsMs 368875 Specdb::MsMs 368876 Specdb::MsMs 368877 Specdb::MsMs 2329164 Specdb::MsMs 2329165 Specdb::MsMs 2329166 Specdb::MsMs 2636047 Specdb::MsMs 2636048 Specdb::MsMs 2636049 Specdb::CMs 24952 Specdb::CMs 46851 Specdb::CMs 149178 Specdb::CMs 149180 Specdb::CMs 149182 Specdb::CMs 149184 Specdb::CMs 149186 Specdb::CMs 167752 Specdb::CMs 279712 HMDB40601 #<Reference:0x000055ce31835950>