1.02010-04-08 22:14:12 UTC2019-11-26 03:17:14 UTCFDB019198Lyciumoside IIConstituent of Lycium chinense (Chinese boxthorn). Lyciumoside II is found in tea, coffee and coffee products, and herbs and spices.Lyciumoside IIC38H64O17792.9046792.4143506222-{[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-triol2-{[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-triol150396-01-3C\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=CInChI=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 glycosidesOrganic compoundsLipids and lipid-like moleculesPrenol lipidsTerpene glycosidesAliphatic heteromonocyclic compoundsAcetalsAlkyl glycosidesDisaccharidesDiterpenoidsFatty acyl glycosides of mono- and disaccharidesHydrocarbon derivativesO-glycosyl compoundsOxacyclic compoundsOxanesPolyolsPrimary alcoholsSecondary alcoholsAcetalAlcoholAliphatic heteromonocyclic compoundAlkyl glycosideDisaccharideDiterpene glycosideDiterpenoidFatty acylFatty acyl glycosideFatty acyl glycoside of mono- or disaccharideGlycosyl compoundHydrocarbon derivativeO-glycosyl compoundOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleOxanePolyolPrimary alcoholSecondary alcohollogp0.22logs-3.26solubility4.32e-01 g/llogp-0.63pka_strongest_acidic11.85pka_strongest_basic-3.6iupac2-{[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-triolaverage_mass792.9046mono_mass792.414350622smilesC\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=CformulaC38H64O17inchiInChI=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+inchikeyQAUYGCMOBFCRSP-AFAFYZGOSA-Npolar_surface_area277.91refractivity196.83polarizability84.01rotatable_bond_count20acceptor_count17donor_count11physiological_charge0formal_charge0Specdb::CMs787356Specdb::CMs787357Specdb::CMs787358Specdb::CMs787359Specdb::CMs787360Specdb::CMs787361Specdb::CMs787362Specdb::CMs787363Specdb::CMs787364Specdb::CMs787365Specdb::CMs787366Specdb::NmrOneD33882Specdb::NmrOneD33883Specdb::NmrOneD33884Specdb::NmrOneD33885Specdb::NmrOneD33886Specdb::NmrOneD33887Specdb::NmrOneD33888Specdb::NmrOneD33889Specdb::NmrOneD33890Specdb::NmrOneD33891Specdb::NmrOneD33892Specdb::NmrOneD33893Specdb::NmrOneD33894Specdb::NmrOneD33895Specdb::NmrOneD33896Specdb::NmrOneD33897Specdb::NmrOneD33898Specdb::NmrOneD33899Specdb::NmrOneD33900Specdb::NmrOneD33901Specdb::MsMs132363Specdb::MsMs132364Specdb::MsMs132365Specdb::MsMs2311556Specdb::MsMs2311557Specdb::MsMs2311558Specdb::MsMs73248Specdb::MsMs73249Specdb::MsMs73250Specdb::MsMs2650232Specdb::MsMs2650233Specdb::MsMs2650234HMDB39576#<Reference:0x00005556759bb6a0>Arabica coffeeType 1specificCoffea arabica13443Black teaType 1Coffee and coffee productsUnknowngenericGreen teaType 1Herbal teaType 1Herbs and SpicesUnknowngenericRed teaType 1Robusta coffeeType 1specificCoffea canephora49390TeaType 1specificCamellia sinensis4442