1.0 2010-04-08 22:11:01 UTC 2019-11-26 03:09:23 UTC FDB013991 Galactopinitol B Constituent of soya beans. Galactopinitol B is found in soy bean and pulses. 2-O-b-D-galactopyranoside 3-O-Methyl-D-chiro-inositol 2-O-b-D-galactopyranoside 4-O-Methyl-D-chiro-inositol Galactopinitol B O-beta-D-galactopyranosyl-(1->2)-4-O-methyl-chiro-inositol C13H24O11 356.3231 356.13186161 (1S,2R,3S,4R,5S,6S)-4-methoxy-6-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexane-1,2,3,5-tetrol (1S,2R,3S,4R,5S,6S)-4-methoxy-6-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexane-1,2,3,5-tetrol 88199-72-8 CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O InChI=1S/C13H24O11/c1-22-11-7(18)6(17)8(19)12(10(11)21)24-13-9(20)5(16)4(15)3(2-14)23-13/h3-21H,2H2,1H3/t3-,4+,5+,6-,7+,8+,9-,10+,11-,12+,13+/m1/s1 WFSVEMFCPALUBB-DVLBVPSGSA-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 Cyclitols and derivatives Cyclohexanols Dialkyl ethers Hexoses Hydrocarbon derivatives Oxacyclic compounds Oxanes Polyols Primary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Cyclic alcohol Cyclitol or derivatives Cyclohexanol Dialkyl ether Ether Hexose monosaccharide Hydrocarbon derivative Monosaccharide O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp -2.38 ALOGPS logs 0.15 ALOGPS solubility 5.03e+02 g/l ALOGPS logp -4.9 ChemAxon pka_strongest_acidic 12.01 ChemAxon pka_strongest_basic -3 ChemAxon iupac (1S,2R,3S,4R,5S,6S)-4-methoxy-6-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexane-1,2,3,5-tetrol ChemAxon average_mass 356.3231 ChemAxon mono_mass 356.13186161 ChemAxon smiles CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O ChemAxon formula C13H24O11 ChemAxon inchi InChI=1S/C13H24O11/c1-22-11-7(18)6(17)8(19)12(10(11)21)24-13-9(20)5(16)4(15)3(2-14)23-13/h3-21H,2H2,1H3/t3-,4+,5+,6-,7+,8+,9-,10+,11-,12+,13+/m1/s1 ChemAxon inchikey WFSVEMFCPALUBB-DVLBVPSGSA-N ChemAxon polar_surface_area 189.53 ChemAxon refractivity 72.94 ChemAxon polarizability 32.67 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 11 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26421 Specdb::CMs 44326 Specdb::CMs 166138 Specdb::MsMs 94758 Specdb::MsMs 94759 Specdb::MsMs 94760 Specdb::MsMs 158856 Specdb::MsMs 158857 Specdb::MsMs 158858 Specdb::MsMs 2827815 Specdb::MsMs 2827816 Specdb::MsMs 2827817 Specdb::MsMs 2850622 Specdb::MsMs 2850623 Specdb::MsMs 2850624 Specdb::NmrOneD 130918 Specdb::NmrOneD 130919 Specdb::NmrOneD 130920 Specdb::NmrOneD 130921 Specdb::NmrOneD 130922 Specdb::NmrOneD 130923 Specdb::NmrOneD 130924 Specdb::NmrOneD 130925 Specdb::NmrOneD 130926 Specdb::NmrOneD 130927 Specdb::NmrOneD 130928 Specdb::NmrOneD 130929 Specdb::NmrOneD 130930 Specdb::NmrOneD 130931 Specdb::NmrOneD 130932 Specdb::NmrOneD 130933 Specdb::NmrOneD 130934 Specdb::NmrOneD 130935 Specdb::NmrOneD 130936 Specdb::NmrOneD 130937 HMDB35321 #<Reference:0x000055ce33336538> Pulses Unknown generic Soy bean Type 1 specific Glycine max 3847 115.0 115.0 115.0 mg/100 g