1.0 2010-04-08 22:09:35 UTC 2018-05-28 22:27:18 UTC FDB011324 (1RS,2RS)-Guaiacylglycerol 1-glucoside Isolated from Pinus sylvestris (Scotch pine) needles. (1RS,2RS)-Guaiacylglycerol 1-glucoside (1RS,2RS)-Guaiacylglycerol 1-O-b-D-glucopyranoside C16H24O10 376.3558 376.136946988 2-[2,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 2-[2,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 481-06-1 COC1=C(O)C=CC(=C1)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO InChI=1S/C16H24O10/c1-24-10-4-7(2-3-8(10)19)15(9(20)5-17)26-16-14(23)13(22)12(21)11(6-18)25-16/h2-4,9,11-23H,5-6H2,1H3 XIMYPIWCALSSQZ-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 Alkyl aryl ethers Anisoles Hexoses Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Oxacyclic compounds Oxanes Phenoxy compounds Polyols Primary alcohols Secondary alcohols 1-hydroxy-2-unsubstituted benzenoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteromonocyclic compound Benzenoid Ether Hexose monosaccharide Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Phenol Phenol ether Phenoxy compound Polyol Primary alcohol Secondary alcohol logp -1.75 ALOGPS logs -1.33 ALOGPS solubility 1.75e+01 g/l ALOGPS melting_point Mp 162-166° logp -2.3 ChemAxon pka_strongest_acidic 9.91 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-[2,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 376.3558 ChemAxon mono_mass 376.136946988 ChemAxon smiles COC1=C(O)C=CC(=C1)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO ChemAxon formula C16H24O10 ChemAxon inchi InChI=1S/C16H24O10/c1-24-10-4-7(2-3-8(10)19)15(9(20)5-17)26-16-14(23)13(22)12(21)11(6-18)25-16/h2-4,9,11-23H,5-6H2,1H3 ChemAxon inchikey XIMYPIWCALSSQZ-UHFFFAOYSA-N ChemAxon polar_surface_area 169.3 ChemAxon refractivity 85.66 ChemAxon polarizability 36.49 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 10 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24771 Specdb::CMs 43214 Specdb::CMs 153137 Specdb::NmrOneD 119238 Specdb::NmrOneD 119239 Specdb::NmrOneD 119240 Specdb::NmrOneD 119241 Specdb::NmrOneD 119242 Specdb::NmrOneD 119243 Specdb::NmrOneD 119244 Specdb::NmrOneD 119245 Specdb::NmrOneD 119246 Specdb::NmrOneD 119247 Specdb::NmrOneD 119248 Specdb::NmrOneD 119249 Specdb::NmrOneD 119250 Specdb::NmrOneD 119251 Specdb::NmrOneD 119252 Specdb::NmrOneD 119253 Specdb::NmrOneD 119254 Specdb::NmrOneD 119255 Specdb::NmrOneD 119256 Specdb::NmrOneD 119257 Specdb::MsMs 48339 Specdb::MsMs 48340 Specdb::MsMs 48341 Specdb::MsMs 177597 Specdb::MsMs 177598 Specdb::MsMs 177599 Specdb::MsMs 2310384 Specdb::MsMs 2310385 Specdb::MsMs 2310386 Specdb::MsMs 2655998 Specdb::MsMs 2655999 Specdb::MsMs 2656000 HMDB33300 #<Reference:0x000055ce32547aa8>