1.0 2010-04-08 22:09:17 UTC 2025-11-18 23:21:53 UTC FDB010747 Ciceritol Constituent of chick pea seeds (Cicer arietinum), lentil seeds (Lens esculenta) and other plant subspecies in the Leguminosae. Ciceritol is found in soy bean and pulses. Ciceritol O-&alpha;-D-galactopyranosyl-(1->6)-O-&alpha;-D-galactopyranosyl-(1->2)-4-O-methyl-chiro-inositol C19H34O16 518.4637 518.18468504 (1S,2R,3S,4R,5S,6S)-4-methoxy-6-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}cyclohexane-1,2,3,5-tetrol (1S,2R,3S,4R,5S,6S)-4-methoxy-6-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}cyclohexane-1,2,3,5-tetrol 88167-26-4 CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O InChI=1S/C19H34O16/c1-31-16-11(26)10(25)12(27)17(15(16)30)35-19-14(29)9(24)7(22)5(34-19)3-32-18-13(28)8(23)6(21)4(2-20)33-18/h4-30H,2-3H2,1H3/t4-,5-,6+,7+,8+,9+,10-,11+,12+,13-,14-,15+,16-,17+,18+,19-/m1/s1 ATDWJHOSZLOQDJ-LMKXGGCJSA-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 Disaccharides Hydrocarbon derivatives Oxacyclic compounds Oxanes Polyols Primary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Cyclic alcohol Cyclitol or derivatives Cyclohexanol Dialkyl ether Disaccharide Ether Hydrocarbon derivative O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp -2.39 ALOGPS logs -0.20 ALOGPS solubility 3.26e+02 g/l ALOGPS logp -6.7 ChemAxon pka_strongest_acidic 11.85 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac (1S,2R,3S,4R,5S,6S)-4-methoxy-6-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}cyclohexane-1,2,3,5-tetrol ChemAxon average_mass 518.4637 ChemAxon mono_mass 518.18468504 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]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O ChemAxon formula C19H34O16 ChemAxon inchi InChI=1S/C19H34O16/c1-31-16-11(26)10(25)12(27)17(15(16)30)35-19-14(29)9(24)7(22)5(34-19)3-32-18-13(28)8(23)6(21)4(2-20)33-18/h4-30H,2-3H2,1H3/t4-,5-,6+,7+,8+,9+,10-,11+,12+,13-,14-,15+,16-,17+,18+,19-/m1/s1 ChemAxon inchikey ATDWJHOSZLOQDJ-LMKXGGCJSA-N ChemAxon polar_surface_area 268.68 ChemAxon refractivity 105.35 ChemAxon polarizability 48.1 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 16 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11589 Specdb::CMs 42959 Specdb::MsMs 72543 Specdb::MsMs 72544 Specdb::MsMs 72545 Specdb::MsMs 131502 Specdb::MsMs 131503 Specdb::MsMs 131504 Specdb::MsMs 2746408 Specdb::MsMs 2746409 Specdb::MsMs 2746410 Specdb::MsMs 2932062 Specdb::MsMs 2932063 Specdb::MsMs 2932064 Specdb::NmrOneD 115118 Specdb::NmrOneD 115119 Specdb::NmrOneD 115120 Specdb::NmrOneD 115121 Specdb::NmrOneD 115122 Specdb::NmrOneD 115123 Specdb::NmrOneD 115124 Specdb::NmrOneD 115125 Specdb::NmrOneD 115126 Specdb::NmrOneD 115127 Specdb::NmrOneD 115128 Specdb::NmrOneD 115129 Specdb::NmrOneD 115130 Specdb::NmrOneD 115131 Specdb::NmrOneD 115132 Specdb::NmrOneD 115133 Specdb::NmrOneD 115134 Specdb::NmrOneD 115135 Specdb::NmrOneD 115136 Specdb::NmrOneD 115137 HMDB32777 #<Reference:0x000055ce306dde28> Pulses Unknown generic Soy bean Type 1 specific Glycine max 3847 51.5 51.5 51.5 mg/100 g