1.0 2010-04-08 22:15:03 UTC 2025-11-19 02:32:02 UTC FDB020466 (+)-Pinoresinol 4-O-[beta-D-Glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->6)]-beta-D-glucopyranoside] Constituent of sesame seeds. (+)-Pinoresinol 4-O-[beta-D-Glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->6)]-beta-D-glucopyranoside] is found in cereals and cereal products. KP3 C38H52O21 844.8069 844.300108726 2-[(3,4-dihydroxy-6-{4-[4-(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 2-[(3,4-dihydroxy-6-{4-[4-(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 150035-90-8 COC1=C(O)C=CC(=C1)C1OCC2C1COC2C1=CC(OC)=C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C=C1 InChI=1S/C38H52O21/c1-50-20-7-14(3-5-18(20)41)33-16-11-53-34(17(16)12-52-33)15-4-6-19(21(8-15)51-2)55-38-35(59-37-32(49)29(46)26(43)23(10-40)57-37)30(47)27(44)24(58-38)13-54-36-31(48)28(45)25(42)22(9-39)56-36/h3-8,16-17,22-49H,9-13H2,1-2H3 VICAQHYHEATZHF-UHFFFAOYSA-N belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. Oligosaccharides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Acetals Alkyl aryl ethers Alkyl glycosides Anisoles Dialkyl ethers Furofuran lignans Furofurans Hydrocarbon derivatives Lignan glycosides Methoxybenzenes Methoxyphenols O-glycosyl compounds Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Secondary alcohols Tetrahydrofurans 1-hydroxy-2-unsubstituted benzenoid Acetal Alcohol Alkyl aryl ether Alkyl glycoside Anisole Aromatic heteropolycyclic compound Benzenoid Dialkyl ether Ether Fatty acyl Fatty acyl glycoside Furanoid lignan Furofuran Furofuran lignan skeleton Glycosyl compound Hydrocarbon derivative Lignan glycoside Methoxybenzene Methoxyphenol Monocyclic benzene moiety O-glycosyl compound Oligosaccharide Organoheterocyclic compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Secondary alcohol Tetrahydrofuran logp -0.94 ALOGPS logs -2.34 ALOGPS solubility 3.83e+00 g/l ALOGPS logp -3.5 ChemAxon pka_strongest_acidic 9.91 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-[(3,4-dihydroxy-6-{4-[4-(4-hydroxy-3-methoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenoxy}-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 844.8069 ChemAxon mono_mass 844.300108726 ChemAxon smiles COC1=C(O)C=CC(=C1)C1OCC2C1COC2C1=CC(OC)=C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C=C1 ChemAxon formula C38H52O21 ChemAxon inchi InChI=1S/C38H52O21/c1-50-20-7-14(3-5-18(20)41)33-16-11-53-34(17(16)12-52-33)15-4-6-19(21(8-15)51-2)55-38-35(59-37-32(49)29(46)26(43)23(10-40)57-37)30(47)27(44)24(58-38)13-54-36-31(48)28(45)25(42)22(9-39)56-36/h3-8,16-17,22-49H,9-13H2,1-2H3 ChemAxon inchikey VICAQHYHEATZHF-UHFFFAOYSA-N ChemAxon polar_surface_area 314.83 ChemAxon refractivity 192.07 ChemAxon polarizability 84.53 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 21 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 310405 Specdb::MsMs 310406 Specdb::MsMs 310407 Specdb::MsMs 355117 Specdb::MsMs 355118 Specdb::MsMs 355119 Specdb::MsMs 2283472 Specdb::MsMs 2283473 Specdb::MsMs 2283474 Specdb::MsMs 3085750 Specdb::MsMs 3085751 Specdb::MsMs 3085752 Specdb::NmrOneD 42762 Specdb::NmrOneD 42763 Specdb::NmrOneD 42764 Specdb::NmrOneD 42765 Specdb::NmrOneD 42766 Specdb::NmrOneD 42767 Specdb::NmrOneD 42768 Specdb::NmrOneD 42769 Specdb::NmrOneD 42770 Specdb::NmrOneD 42771 Specdb::NmrOneD 42772 Specdb::NmrOneD 42773 Specdb::NmrOneD 42774 Specdb::NmrOneD 42775 Specdb::NmrOneD 42776 Specdb::NmrOneD 42777 Specdb::NmrOneD 42778 Specdb::NmrOneD 42779 Specdb::NmrOneD 42780 Specdb::NmrOneD 42781 HMDB40669 #<Reference:0x000055ce30f08af8> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic