1.0 2010-04-08 22:13:14 UTC 2019-11-26 03:15:02 UTC FDB017676 Glucosylisomaltol Constituent of the roots of Eleutherococcus senticosus (Siberian ginseng). Glucosylisomaltol is found in tea. C12H16O8 288.2506 288.084517488 1-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}furan-2-yl)ethan-1-one 1-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}furan-2-yl)ethanone 85559-61-1 CC(=O)C1=C(OC2OC(CO)C(O)C(O)C2O)C=CO1 InChI=1S/C12H16O8/c1-5(14)11-6(2-3-18-11)19-12-10(17)9(16)8(15)7(4-13)20-12/h2-3,7-10,12-13,15-17H,4H2,1H3 RRYYNIJTMYUJDC-UHFFFAOYSA-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 Aromatic heteromonocyclic compounds Acetals Aryl alkyl ketones Furans Heteroaromatic compounds Hexoses Hydrocarbon derivatives Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aromatic heteromonocyclic compound Aryl alkyl ketone Aryl ketone Furan Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Ketone Monosaccharide O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp -1.32 ALOGPS logs -0.67 ALOGPS solubility 6.14e+01 g/l ALOGPS logp -2 ChemAxon pka_strongest_acidic 12.19 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}furan-2-yl)ethan-1-one ChemAxon average_mass 288.2506 ChemAxon mono_mass 288.084517488 ChemAxon smiles CC(=O)C1=C(OC2OC(CO)C(O)C(O)C2O)C=CO1 ChemAxon formula C12H16O8 ChemAxon inchi InChI=1S/C12H16O8/c1-5(14)11-6(2-3-18-11)19-12-10(17)9(16)8(15)7(4-13)20-12/h2-3,7-10,12-13,15-17H,4H2,1H3 ChemAxon inchikey RRYYNIJTMYUJDC-UHFFFAOYSA-N ChemAxon polar_surface_area 129.59 ChemAxon refractivity 62.98 ChemAxon polarizability 26.88 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15393 Specdb::CMs 45774 Specdb::CMs 160148 Specdb::MsMs 81855 Specdb::MsMs 81856 Specdb::MsMs 81857 Specdb::MsMs 143070 Specdb::MsMs 143071 Specdb::MsMs 143072 Specdb::MsMs 2803950 Specdb::MsMs 2803951 Specdb::MsMs 2803952 Specdb::MsMs 2875019 Specdb::MsMs 2875020 Specdb::MsMs 2875021 Specdb::NmrOneD 25882 Specdb::NmrOneD 25883 Specdb::NmrOneD 25884 Specdb::NmrOneD 25885 Specdb::NmrOneD 25886 Specdb::NmrOneD 25887 Specdb::NmrOneD 25888 Specdb::NmrOneD 25889 Specdb::NmrOneD 25890 Specdb::NmrOneD 25891 Specdb::NmrOneD 25892 Specdb::NmrOneD 25893 Specdb::NmrOneD 25894 Specdb::NmrOneD 25895 Specdb::NmrOneD 25896 Specdb::NmrOneD 25897 Specdb::NmrOneD 25898 Specdb::NmrOneD 25899 Specdb::NmrOneD 25900 Specdb::NmrOneD 25901 HMDB38341 #<Reference:0x000055ce317803e8> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442