1.0 2010-04-08 22:14:12 UTC 2019-11-26 03:17:14 UTC FDB019199 Lyciumoside I Constituent of Lycium chinense (Chinese boxthorn). Lyciumoside I is found in tea, coffee and coffee products, and herbs and spices. Lyciumoside I C32H54O12 630.764 630.361527192 2-(hydroxymethyl)-6-{[(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}oxane-3,4,5-triol 2-(hydroxymethyl)-6-{[(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}oxane-3,4,5-triol 150396-00-2 C\C(CC\C=C(/C)COC1OC(CO)C(O)C(O)C1O)=C\CC\C(C)=C\CCC(C)(OC1OC(CO)C(O)C(O)C1O)C=C InChI=1S/C32H54O12/c1-6-32(5,44-31-29(40)27(38)25(36)23(17-34)43-31)15-9-14-20(3)11-7-10-19(2)12-8-13-21(4)18-41-30-28(39)26(37)24(35)22(16-33)42-30/h6,10,13-14,22-31,33-40H,1,7-9,11-12,15-18H2,2-5H3/b19-10-,20-14+,21-13+ HQUVEBJUUSKUCJ-YLCPDNOISA-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 Diterpenoids Fatty acyl glycosides of mono- and disaccharides Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Diterpene glycoside Diterpenoid Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp 1.40 ALOGPS logs -3.49 ALOGPS solubility 2.06e-01 g/l ALOGPS logp 1.14 ChemAxon pka_strongest_acidic 11.91 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(hydroxymethyl)-6-{[(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}oxane-3,4,5-triol ChemAxon average_mass 630.764 ChemAxon mono_mass 630.361527192 ChemAxon smiles C\C(CC\C=C(/C)COC1OC(CO)C(O)C(O)C1O)=C\CC\C(C)=C\CCC(C)(OC1OC(CO)C(O)C(O)C1O)C=C ChemAxon formula C32H54O12 ChemAxon inchi InChI=1S/C32H54O12/c1-6-32(5,44-31-29(40)27(38)25(36)23(17-34)43-31)15-9-14-20(3)11-7-10-19(2)12-8-13-21(4)18-41-30-28(39)26(37)24(35)22(16-33)42-30/h6,10,13-14,22-31,33-40H,1,7-9,11-12,15-18H2,2-5H3/b19-10-,20-14+,21-13+ ChemAxon inchikey HQUVEBJUUSKUCJ-YLCPDNOISA-N ChemAxon polar_surface_area 198.76 ChemAxon refractivity 164.41 ChemAxon polarizability 68.6 ChemAxon rotatable_bond_count 17 ChemAxon acceptor_count 12 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24708 Specdb::CMs 584308 Specdb::CMs 584309 Specdb::CMs 584310 Specdb::CMs 584311 Specdb::CMs 584312 Specdb::CMs 584313 Specdb::CMs 584314 Specdb::CMs 584315 Specdb::CMs 584316 Specdb::CMs 584317 Specdb::CMs 584318 Specdb::CMs 584319 Specdb::CMs 584320 Specdb::CMs 584321 Specdb::CMs 584322 Specdb::CMs 584323 Specdb::CMs 584324 Specdb::CMs 584325 Specdb::CMs 584326 Specdb::CMs 584327 Specdb::CMs 584328 Specdb::CMs 584329 Specdb::CMs 584330 Specdb::CMs 584331 Specdb::MsMs 85428 Specdb::MsMs 85429 Specdb::MsMs 85430 Specdb::MsMs 147525 Specdb::MsMs 147526 Specdb::MsMs 147527 Specdb::MsMs 2777114 Specdb::MsMs 2777115 Specdb::MsMs 2777116 Specdb::MsMs 2902245 Specdb::MsMs 2902246 Specdb::MsMs 2902247 HMDB39577 #<Reference:0x000055ce305feef8> 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