1.0 2010-04-08 22:14:12 UTC 2019-11-26 03:17:14 UTC FDB019198 Lyciumoside II Constituent of Lycium chinense (Chinese boxthorn). Lyciumoside II is found in tea, coffee and coffee products, and herbs and spices. Lyciumoside II C38H64O17 792.9046 792.414350622 2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{[(2E,6Z,10E)-2,6,10,14-tetramethyl-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-2,6,10,15-tetraen-1-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{[(2E,6Z,10E)-2,6,10,14-tetramethyl-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-2,6,10,15-tetraen-1-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 150396-01-3 C\C(CC\C=C(/C)COC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)=C\CC\C(C)=C\CCC(C)(OC1OC(CO)C(O)C(O)C1O)C=C InChI=1S/C38H64O17/c1-6-38(5,55-36-33(49)30(46)27(43)24(17-40)52-36)15-9-14-21(3)11-7-10-20(2)12-8-13-22(4)19-50-37-34(31(47)28(44)25(18-41)53-37)54-35-32(48)29(45)26(42)23(16-39)51-35/h6,10,13-14,23-37,39-49H,1,7-9,11-12,15-19H2,2-5H3/b20-10-,21-14+,22-13+ QAUYGCMOBFCRSP-AFAFYZGOSA-N belongs to the class of organic compounds known as diterpene glycosides. These are diterpenoids in which an isoprene unit is glycosylated. Diterpene glycosides Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene glycosides Aliphatic heteromonocyclic compounds Acetals Alkyl glycosides Disaccharides Diterpenoids Fatty acyl glycosides of mono- and disaccharides Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Disaccharide Diterpene glycoside Diterpenoid Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hydrocarbon derivative O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp 0.22 ALOGPS logs -3.26 ALOGPS solubility 4.32e-01 g/l ALOGPS logp -0.63 ChemAxon pka_strongest_acidic 11.85 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{[(2E,6Z,10E)-2,6,10,14-tetramethyl-14-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-2,6,10,15-tetraen-1-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 792.9046 ChemAxon mono_mass 792.414350622 ChemAxon smiles C\C(CC\C=C(/C)COC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)=C\CC\C(C)=C\CCC(C)(OC1OC(CO)C(O)C(O)C1O)C=C ChemAxon formula C38H64O17 ChemAxon inchi InChI=1S/C38H64O17/c1-6-38(5,55-36-33(49)30(46)27(43)24(17-40)52-36)15-9-14-21(3)11-7-10-20(2)12-8-13-22(4)19-50-37-34(31(47)28(44)25(18-41)53-37)54-35-32(48)29(45)26(42)23(16-39)51-35/h6,10,13-14,23-37,39-49H,1,7-9,11-12,15-19H2,2-5H3/b20-10-,21-14+,22-13+ ChemAxon inchikey QAUYGCMOBFCRSP-AFAFYZGOSA-N ChemAxon polar_surface_area 277.91 ChemAxon refractivity 196.83 ChemAxon polarizability 84.01 ChemAxon rotatable_bond_count 20 ChemAxon acceptor_count 17 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 787356 Specdb::CMs 787357 Specdb::CMs 787358 Specdb::CMs 787359 Specdb::CMs 787360 Specdb::CMs 787361 Specdb::CMs 787362 Specdb::CMs 787363 Specdb::CMs 787364 Specdb::CMs 787365 Specdb::CMs 787366 Specdb::NmrOneD 33882 Specdb::NmrOneD 33883 Specdb::NmrOneD 33884 Specdb::NmrOneD 33885 Specdb::NmrOneD 33886 Specdb::NmrOneD 33887 Specdb::NmrOneD 33888 Specdb::NmrOneD 33889 Specdb::NmrOneD 33890 Specdb::NmrOneD 33891 Specdb::NmrOneD 33892 Specdb::NmrOneD 33893 Specdb::NmrOneD 33894 Specdb::NmrOneD 33895 Specdb::NmrOneD 33896 Specdb::NmrOneD 33897 Specdb::NmrOneD 33898 Specdb::NmrOneD 33899 Specdb::NmrOneD 33900 Specdb::NmrOneD 33901 Specdb::MsMs 73248 Specdb::MsMs 73249 Specdb::MsMs 73250 Specdb::MsMs 132363 Specdb::MsMs 132364 Specdb::MsMs 132365 Specdb::MsMs 2311556 Specdb::MsMs 2311557 Specdb::MsMs 2311558 Specdb::MsMs 2650232 Specdb::MsMs 2650233 Specdb::MsMs 2650234 HMDB39576 #<Reference:0x000055ce2f6a7e50> Arabica coffee Type 1 specific Coffea arabica 13443 Black tea Type 1 Coffee and coffee products Unknown generic Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Robusta coffee Type 1 specific Coffea canephora 49390 Tea Type 1 specific Camellia sinensis 4442