1.0 2010-04-08 22:15:27 UTC 2018-05-29 01:49:33 UTC FDB021086 3,4,5-Trimethoxyphenyl glucoside Constituent of Quillaja saponaria (soap-bark tree) 3,4,5-Trimethoxyphenyl beta-D-glucopyranoside 3,4,5-Trimethoxyphenyl glucoside C15H22O9 346.3298 346.126382302 2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol 2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol 41514-64-1 COC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1OC InChI=1S/C15H22O9/c1-20-8-4-7(5-9(21-2)14(8)22-3)23-15-13(19)12(18)11(17)10(6-16)24-15/h4-5,10-13,15-19H,6H2,1-3H3 NBLLRWANAFOKON-UHFFFAOYSA-N belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Phenolic glycosides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteromonocyclic compounds Acetals Alkyl aryl ethers Anisoles Hexoses Hydrocarbon derivatives Methoxybenzenes O-glycosyl compounds Oxacyclic compounds Oxanes Phenoxy compounds Polyols Primary alcohols Secondary alcohols Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteromonocyclic compound Benzenoid Ether Hexose monosaccharide Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Secondary alcohol logp -0.37 ALOGPS logs -1.52 ALOGPS solubility 1.06e+01 g/l ALOGPS melting_point Mp 201-203° logp -1.1 ChemAxon pka_strongest_acidic 12.2 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol ChemAxon average_mass 346.3298 ChemAxon mono_mass 346.126382302 ChemAxon smiles COC1=CC(OC2OC(CO)C(O)C(O)C2O)=CC(OC)=C1OC ChemAxon formula C15H22O9 ChemAxon inchi InChI=1S/C15H22O9/c1-20-8-4-7(5-9(21-2)14(8)22-3)23-15-13(19)12(18)11(17)10(6-16)24-15/h4-5,10-13,15-19H,6H2,1-3H3 ChemAxon inchikey NBLLRWANAFOKON-UHFFFAOYSA-N ChemAxon polar_surface_area 127.07 ChemAxon refractivity 79.57 ChemAxon polarizability 33.62 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 9 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15293 Specdb::CMs 47166 Specdb::CMs 131426 Specdb::CMs 139160 Specdb::MsMs 299935 Specdb::MsMs 299936 Specdb::MsMs 299937 Specdb::MsMs 342079 Specdb::MsMs 342080 Specdb::MsMs 342081 Specdb::MsMs 2290227 Specdb::MsMs 2290228 Specdb::MsMs 2290229 Specdb::MsMs 2649294 Specdb::MsMs 2649295 Specdb::MsMs 2649296 Specdb::NmrOneD 45262 Specdb::NmrOneD 45263 Specdb::NmrOneD 45264 Specdb::NmrOneD 45265 Specdb::NmrOneD 45266 Specdb::NmrOneD 45267 Specdb::NmrOneD 45268 Specdb::NmrOneD 45269 Specdb::NmrOneD 45270 Specdb::NmrOneD 45271 Specdb::NmrOneD 45272 Specdb::NmrOneD 45273 Specdb::NmrOneD 45274 Specdb::NmrOneD 45275 Specdb::NmrOneD 45276 Specdb::NmrOneD 45277 Specdb::NmrOneD 45278 Specdb::NmrOneD 45279 Specdb::NmrOneD 45280 Specdb::NmrOneD 45281 HMDB41189 #<Reference:0x000055ce31de0300>