1.0 2010-04-08 22:12:20 UTC 2025-11-19 01:45:56 UTC FDB016277 Todatriol glucoside Constituent of the fruit of Carum ajowan (ajowan) 3-(3-Hydroxy-4,5-dimethoxyphenyl)-1,2-propanediol 1-O-b-D-glucopyranoside Todatriol glucoside C17H26O10 390.3823 390.152597052 2-[2-hydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 2-[2-hydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 617-45-8 COC1=CC(CC(O)COC2OC(CO)C(O)C(O)C2O)=CC(O)=C1OC InChI=1S/C17H26O10/c1-24-11-5-8(4-10(20)16(11)25-2)3-9(19)7-26-17-15(23)14(22)13(21)12(6-18)27-17/h4-5,9,12-15,17-23H,3,6-7H2,1-2H3 OFPQILBGSKDVRR-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 1-hydroxy-4-unsubstituted benzenoids Acetals Alkyl aryl ethers Alkyl glycosides Anisoles Dimethoxybenzenes Hexoses Hydrocarbon derivatives Methoxyphenols O-glycosyl compounds Oxacyclic compounds Oxanes Phenoxy compounds Polyols Primary alcohols Secondary alcohols 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Alkyl aryl ether Alkyl glycoside Anisole Aromatic heteromonocyclic compound Benzenoid Dimethoxybenzene Ether Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocyclic benzene moiety Monosaccharide O-dimethoxybenzene O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenoxy compound Polyol Primary alcohol Secondary alcohol logp -1.21 ALOGPS logs -1.82 ALOGPS solubility 5.93e+00 g/l ALOGPS logp -1.5 ChemAxon pka_strongest_acidic 10.02 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-[2-hydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 390.3823 ChemAxon mono_mass 390.152597052 ChemAxon smiles COC1=CC(CC(O)COC2OC(CO)C(O)C(O)C2O)=CC(O)=C1OC ChemAxon formula C17H26O10 ChemAxon inchi InChI=1S/C17H26O10/c1-24-11-5-8(4-10(20)16(11)25-2)3-9(19)7-26-17-15(23)14(22)13(21)12(6-18)27-17/h4-5,9,12-15,17-23H,3,6-7H2,1-2H3 ChemAxon inchikey OFPQILBGSKDVRR-UHFFFAOYSA-N ChemAxon polar_surface_area 158.3 ChemAxon refractivity 90.91 ChemAxon polarizability 39.13 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21197 Specdb::CMs 45289 Specdb::CMs 172587 Specdb::NmrOneD 139710 Specdb::NmrOneD 139711 Specdb::NmrOneD 139712 Specdb::NmrOneD 139713 Specdb::NmrOneD 139714 Specdb::NmrOneD 139715 Specdb::NmrOneD 139716 Specdb::NmrOneD 139717 Specdb::NmrOneD 139718 Specdb::NmrOneD 139719 Specdb::NmrOneD 139720 Specdb::NmrOneD 139721 Specdb::NmrOneD 139722 Specdb::NmrOneD 139723 Specdb::NmrOneD 139724 Specdb::NmrOneD 139725 Specdb::NmrOneD 139726 Specdb::NmrOneD 139727 Specdb::NmrOneD 139728 Specdb::NmrOneD 139729 Specdb::MsMs 9380 Specdb::MsMs 9381 Specdb::MsMs 9382 Specdb::MsMs 16052 Specdb::MsMs 16053 Specdb::MsMs 16054 Specdb::MsMs 2367163 Specdb::MsMs 2367164 Specdb::MsMs 2367165 Specdb::MsMs 2598409 Specdb::MsMs 2598410 Specdb::MsMs 2598411 HMDB37260 #<Reference:0x000055ce320bd1b8>