1.0 2010-04-08 22:13:01 UTC 2019-11-26 03:14:39 UTC FDB017323 Glycitin Present in soya foods; potential nutriceutical. Glycitin is found in many foods, some of which are soy milk, tofu, miso, and soy sauce. Glycitein 7-O-glucoside Glycitin C22H22O10 446.408 446.121296908 3-(4-hydroxyphenyl)-6-methoxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one glycitin 40246-10-4 COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2OC=C(C(=O)C2=C1)C1=CC=C(O)C=C1 InChI=1S/C22H22O10/c1-29-15-6-12-14(30-9-13(18(12)25)10-2-4-11(24)5-3-10)7-16(15)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1 OZBAVEKZGSOMOJ-MIUGBVLSSA-N belongs to the class of organic compounds known as isoflavonoid o-glycosides. These are o-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one. Isoflavonoid O-glycosides Organic compounds Phenylpropanoids and polyketides Isoflavonoids Isoflavonoid O-glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Acetals Alkyl aryl ethers Anisoles Benzene and substituted derivatives Chromones Heteroaromatic compounds Hexoses Hydrocarbon derivatives Isoflavones O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Pyranones and derivatives Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Isoflavone Isoflavonoid o-glycoside Isoflavonoid-7-o-glycoside Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Primary alcohol Pyran Pyranone Secondary alcohol Isoflavonoids beta-D-glucoside glycosyloxyisoflavone hydroxyisoflavone isoflavones methoxyisoflavone monosaccharide derivative Solid logp 0.83 ALOGPS logs -2.92 ALOGPS solubility 5.39e-01 g/l ALOGPS melting_point Mp 192-195° logp 0.3 ChemAxon pka_strongest_acidic 8.96 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3-(4-hydroxyphenyl)-6-methoxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one ChemAxon average_mass 446.408 ChemAxon mono_mass 446.121296908 ChemAxon smiles COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C2OC=C(C(=O)C2=C1)C1=CC=C(O)C=C1 ChemAxon formula C22H22O10 ChemAxon inchi InChI=1S/C22H22O10/c1-29-15-6-12-14(30-9-13(18(12)25)10-2-4-11(24)5-3-10)7-16(15)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1 ChemAxon inchikey OZBAVEKZGSOMOJ-MIUGBVLSSA-N ChemAxon polar_surface_area 155.14 ChemAxon refractivity 108.31 ChemAxon polarizability 44.46 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 10 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 45729 Specdb::MsMs 45730 Specdb::MsMs 45731 Specdb::MsMs 160068 Specdb::MsMs 160069 Specdb::MsMs 160070 HMDB02219 #<Reference:0x000055ce31e52068> #<Reference:0x000055ce31e51eb0> #<Reference:0x000055ce31e51cd0> #<Reference:0x000055ce31e51a28> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Miso Type 2 specific 1.121667 1.12166668 1.12166668 mg/100 g Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Other soy product Type 2 specific 2.882522 11.004999638 0.066499999 mg/100 g Pheasant Type 1 specific Phasianus colchicus 9054 Pulses Unknown generic Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Soy bean Type 1 specific Glycine max 3847 61.895667 626.45 0.0 mg/100 g Soy milk Type 2 specific 2.258798 3.6875 0.830096154 mg/100 g Soy sauce Type 2 specific 0.0 0.0 0.0 mg/100 g Soy yogurt Type 2 specific 2.756667 2.75666664 2.75666664 mg/100 g Squab Type 1 specific Columba 8931 Tofu Type 2 specific 0.922861 1.519055122 0.326666673 mg/100 g Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823 Yogurt Type 2 specific 2.756667 2.75666664 2.75666664 mg/100 g