1.0 2010-04-08 22:13:55 UTC 2019-11-26 03:16:39 UTC FDB018774 Glucinol Occurs in vascular tissues of higher plants. Glucinol is found in anise and potato. 1-O-b-D-Glucopyranosyl-myo-inositol Glucinol C12H22O11 342.2965 342.116211546 (1S,2R,3R,4S,5S,6R)-6-{[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]oxy}cyclohexane-1,2,3,4,5-pentol (1S,2R,3R,4S,5S,6R)-6-{[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]oxy}cyclohexane-1,2,3,4,5-pentol 4539-73-5 CO[C@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C12H22O11/c1-21-11-8(19)5(16)9(20)12(23-11)22-10-6(17)3(14)2(13)4(15)7(10)18/h2-20H,1H3/t2-,3-,4+,5-,6-,7-,8-,9+,10-,11-,12+/m0/s1 KZSXJTYOPKQNLT-BCKMTSFNSA-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 Hydrocarbon derivatives Monosaccharides Oxacyclic compounds Oxanes Polyols Acetal Alcohol Aliphatic heteromonocyclic compound Cyclic alcohol Cyclitol or derivatives Cyclohexanol Hydrocarbon derivative Monosaccharide O-glycosyl compound Organoheterocyclic compound Oxacycle Oxane Polyol Secondary alcohol logp -2.12 ALOGPS logs 0.03 ALOGPS solubility 3.70e+02 g/l ALOGPS melting_point Mp 252-260° logp -4.6 ChemAxon pka_strongest_acidic 11.85 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac (1S,2R,3R,4S,5S,6R)-6-{[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]oxy}cyclohexane-1,2,3,4,5-pentol ChemAxon average_mass 342.2965 ChemAxon mono_mass 342.116211546 ChemAxon smiles CO[C@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ChemAxon formula C12H22O11 ChemAxon inchi InChI=1S/C12H22O11/c1-21-11-8(19)5(16)9(20)12(23-11)22-10-6(17)3(14)2(13)4(15)7(10)18/h2-20H,1H3/t2-,3-,4+,5-,6-,7-,8-,9+,10-,11-,12+/m0/s1 ChemAxon inchikey KZSXJTYOPKQNLT-BCKMTSFNSA-N ChemAxon polar_surface_area 189.53 ChemAxon refractivity 68.01 ChemAxon polarizability 31.03 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 11 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16691 Specdb::CMs 46328 Specdb::CMs 148635 Specdb::CMs 148637 Specdb::CMs 148640 Specdb::CMs 148642 Specdb::CMs 148644 Specdb::CMs 148646 Specdb::CMs 148648 Specdb::CMs 148650 Specdb::CMs 148652 Specdb::CMs 148654 Specdb::CMs 148656 Specdb::CMs 148658 Specdb::CMs 159813 Specdb::CMs 279678 Specdb::MsMs 57495 Specdb::MsMs 57496 Specdb::MsMs 57497 Specdb::MsMs 113181 Specdb::MsMs 113182 Specdb::MsMs 113183 Specdb::MsMs 2387711 Specdb::MsMs 2387712 Specdb::MsMs 2387713 Specdb::MsMs 2578260 Specdb::MsMs 2578261 Specdb::MsMs 2578262 Specdb::NmrOneD 31802 Specdb::NmrOneD 31803 Specdb::NmrOneD 31804 Specdb::NmrOneD 31805 Specdb::NmrOneD 31806 Specdb::NmrOneD 31807 Specdb::NmrOneD 31808 Specdb::NmrOneD 31809 Specdb::NmrOneD 31810 Specdb::NmrOneD 31811 Specdb::NmrOneD 31812 Specdb::NmrOneD 31813 Specdb::NmrOneD 31814 Specdb::NmrOneD 31815 Specdb::NmrOneD 31816 Specdb::NmrOneD 31817 Specdb::NmrOneD 31818 Specdb::NmrOneD 31819 Specdb::NmrOneD 31820 Specdb::NmrOneD 31821 HMDB39237 #<Reference:0x000055ce321979d0> Anise Type 1 specific Pimpinella anisum 271192 Potato Type 1 specific Solanum tuberosum 4113