1.0 2010-04-08 22:09:44 UTC 2019-11-26 03:05:09 UTC FDB011625 4-O-Methylgalactinol Constituent of the seeds of azuki bean (Vigna angularis). 4-O-Methylgalactinol is found in pulses. 3-O-a-D-Galactopyranosyl-4-O-methyl-D-myo-inositol 3-O-a-D-Galactopyranosylononitol 4-O-Methylgalactinol C13H24O11 356.3231 356.13186161 (1S,2S,3S,4R,5S,6S)-5-methoxy-6-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexane-1,2,3,4-tetrol (1S,2S,3S,4R,5S,6S)-5-methoxy-6-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexane-1,2,3,4-tetrol 75589-40-1 CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O InChI=1S/C13H24O11/c1-22-11-8(19)6(17)7(18)9(20)12(11)24-13-10(21)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 RSYNCMYDVZFZBP-KEUHYNFLSA-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 4.98e+02 g/l ALOGPS logp -4.9 ChemAxon pka_strongest_acidic 12.01 ChemAxon pka_strongest_basic -3 ChemAxon iupac (1S,2S,3S,4R,5S,6S)-5-methoxy-6-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexane-1,2,3,4-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]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O ChemAxon formula C13H24O11 ChemAxon inchi InChI=1S/C13H24O11/c1-22-11-8(19)6(17)7(18)9(20)12(11)24-13-10(21)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 RSYNCMYDVZFZBP-KEUHYNFLSA-N ChemAxon polar_surface_area 189.53 ChemAxon refractivity 72.94 ChemAxon polarizability 33.08 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 11 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22027 Specdb::CMs 43360 Specdb::CMs 173668 Specdb::MsMs 104622 Specdb::MsMs 104623 Specdb::MsMs 104624 Specdb::MsMs 170940 Specdb::MsMs 170941 Specdb::MsMs 170942 Specdb::MsMs 2432059 Specdb::MsMs 2432060 Specdb::MsMs 2432061 Specdb::MsMs 2503622 Specdb::MsMs 2503623 Specdb::MsMs 2503624 Specdb::NmrOneD 120638 Specdb::NmrOneD 120639 Specdb::NmrOneD 120640 Specdb::NmrOneD 120641 Specdb::NmrOneD 120642 Specdb::NmrOneD 120643 Specdb::NmrOneD 120644 Specdb::NmrOneD 120645 Specdb::NmrOneD 120646 Specdb::NmrOneD 120647 Specdb::NmrOneD 120648 Specdb::NmrOneD 120649 Specdb::NmrOneD 120650 Specdb::NmrOneD 120651 Specdb::NmrOneD 120652 Specdb::NmrOneD 120653 Specdb::NmrOneD 120654 Specdb::NmrOneD 120655 Specdb::NmrOneD 120656 Specdb::NmrOneD 120657 HMDB33558 #<Reference:0x000055ce32096f40> Pulses Unknown generic