1.0 2010-04-08 22:10:33 UTC 2025-11-18 23:41:42 UTC FDB013148 1-(3,4-Dimethoxyphenyl)-1,2-ethanediol 1-O-b-D-glucoside Constituent of fennel (Foeniculum vulgare). 1-(3,4-Dimethoxyphenyl)-1,2-ethanediol 1-O-b-D-glucoside is found in herbs and spices. 1-(3,4-Dimethoxyphenyl)-1,2-ethanediol 1-O-b-D-glucopyranoside 1-(3,4-Dimethoxyphenyl)-1,2-ethanediol 1-O-b-D-glucoside Veratrylglycol 1-O-b-D-glucoside C16H24O9 360.3564 360.142032366 2-[1-(3,4-dimethoxyphenyl)-2-hydroxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 2-[1-(3,4-dimethoxyphenyl)-2-hydroxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 251905-98-3 COC1=C(OC)C=C(C=C1)C(CO)OC1OC(CO)C(O)C(O)C1O InChI=1S/C16H24O9/c1-22-9-4-3-8(5-10(9)23-2)11(6-17)24-16-15(21)14(20)13(19)12(7-18)25-16/h3-5,11-21H,6-7H2,1-2H3 SXOCFAICCRYBCD-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 Acetals Alkyl aryl ethers Anisoles Dimethoxybenzenes Hexoses Hydrocarbon derivatives Oxacyclic compounds Oxanes Phenoxy compounds Polyols Primary alcohols Secondary alcohols Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteromonocyclic compound Benzenoid Dimethoxybenzene Ether Hexose monosaccharide Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety Monosaccharide O-dimethoxybenzene O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Phenol ether Phenoxy compound Polyol Primary alcohol Secondary alcohol logp -0.99 ALOGPS logs -1.58 ALOGPS solubility 9.54e+00 g/l ALOGPS logp -1.5 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-[1-(3,4-dimethoxyphenyl)-2-hydroxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 360.3564 ChemAxon mono_mass 360.142032366 ChemAxon smiles COC1=C(OC)C=C(C=C1)C(CO)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C16H24O9 ChemAxon inchi InChI=1S/C16H24O9/c1-22-9-4-3-8(5-10(9)23-2)11(6-17)24-16-15(21)14(20)13(19)12(7-18)25-16/h3-5,11-21H,6-7H2,1-2H3 ChemAxon inchikey SXOCFAICCRYBCD-UHFFFAOYSA-N ChemAxon polar_surface_area 138.07 ChemAxon refractivity 84.18 ChemAxon polarizability 35.39 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 63531 Specdb::MsMs 63532 Specdb::MsMs 63533 Specdb::MsMs 120495 Specdb::MsMs 120496 Specdb::MsMs 120497 Specdb::MsMs 2819364 Specdb::MsMs 2819365 Specdb::MsMs 2819366 Specdb::MsMs 2889070 Specdb::MsMs 2889071 Specdb::MsMs 2889072 Specdb::NmrOneD 126958 Specdb::NmrOneD 126959 Specdb::NmrOneD 126960 Specdb::NmrOneD 126961 Specdb::NmrOneD 126962 Specdb::NmrOneD 126963 Specdb::NmrOneD 126964 Specdb::NmrOneD 126965 Specdb::NmrOneD 126966 Specdb::NmrOneD 126967 Specdb::NmrOneD 126968 Specdb::NmrOneD 126969 Specdb::NmrOneD 126970 Specdb::NmrOneD 126971 Specdb::NmrOneD 126972 Specdb::NmrOneD 126973 Specdb::NmrOneD 126974 Specdb::NmrOneD 126975 Specdb::NmrOneD 126976 Specdb::NmrOneD 126977 Specdb::CMs 26487 Specdb::CMs 43960 Specdb::CMs 167776 HMDB34626 #<Reference:0x000055ce31f89468> Herbs and Spices Unknown generic