1.0 2010-04-08 22:06:30 UTC 2025-11-18 22:58:08 UTC FDB005055 Neohesperidoside Neohesperidoside, also known as 2-O-alpha-L-rhamnopyranosyl-D-glucopyranose or alpha-L-rhap-(1->2)-beta-D-glcp, is a member of the class of compounds known as O-glycosyl compounds. O-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Neohesperidoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Neohesperidoside can be found in lemon, which makes neohesperidoside a potential biomarker for the consumption of this food product. Neohesperidoside is the disaccharide which is present in some flavonoids. It can be found in species of typha, in species of typha angustifolia . C12H22O10 326.298 326.121296908 (2S,3R,4R,5R,6S)-2-methyl-6-{[(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol neohesperidose 17074-02-1 [H][C@@]1(C)O[C@@]([H])(O[C@@]2([H])[C@]([H])(O)O[C@]([H])(CO)[C@@]([H])(O)[C@]2([H])O)[C@]([H])(O)[C@]([H])(O)[C@@]1([H])O InChI=1S/C12H22O10/c1-3-5(14)7(16)9(18)12(20-3)22-10-8(17)6(15)4(2-13)21-11(10)19/h3-19H,2H2,1H3/t3-,4+,5-,6+,7+,8-,9+,10+,11+,12-/m0/s1 VSRVRBXGIRFARR-OUEGHFHCSA-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 Aliphatic heteromonocyclic compounds Acetals Disaccharides Hemiacetals Hydrocarbon derivatives Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Disaccharide Hemiacetal Hydrocarbon derivative O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol disaccharide logp -2.45 ALOGPS logs 0.17 ALOGPS solubility 4.86e+02 g/l ALOGPS logp -3.7 ChemAxon pka_strongest_acidic 11.27 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S,3R,4R,5R,6S)-2-methyl-6-{[(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol ChemAxon average_mass 326.298 ChemAxon mono_mass 326.121296908 ChemAxon smiles [H][C@@]1(C)O[C@@]([H])(O[C@@]2([H])[C@]([H])(O)O[C@]([H])(CO)[C@@]([H])(O)[C@]2([H])O)[C@]([H])(O)[C@]([H])(O)[C@@]1([H])O ChemAxon formula C12H22O10 ChemAxon inchi InChI=1S/C12H22O10/c1-3-5(14)7(16)9(18)12(20-3)22-10-8(17)6(15)4(2-13)21-11(10)19/h3-19H,2H2,1H3/t3-,4+,5-,6+,7+,8-,9+,10+,11+,12-/m0/s1 ChemAxon inchikey VSRVRBXGIRFARR-OUEGHFHCSA-N ChemAxon polar_surface_area 169.3 ChemAxon refractivity 66.79 ChemAxon polarizability 30.29 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 10 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 54771 Specdb::MsMs 54772 Specdb::MsMs 54773 Specdb::MsMs 114030 Specdb::MsMs 114031 Specdb::MsMs 114032 Specdb::MsMs 3601313 Specdb::MsMs 3601314 Specdb::MsMs 3601315 Specdb::MsMs 3602576 Specdb::MsMs 3602577 Specdb::MsMs 3602578 25495 Lemon Type 1 specific Citrus limon 2708