1.0 2010-04-08 22:09:42 UTC 2019-11-26 03:05:04 UTC FDB011552 Lyciumoside VI Constituent of Lycium chinense (Chinese boxthorn). Lyciumoside VI is found in tea, coffee and coffee products, and herbs and spices. Lyciumoside VI C44H74O20 923.0464 922.477344808 2-[(6-{[(2E,6Z,10E)-14-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-1-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-6-methyloxane-3,4,5-triol 2-[(6-{[(2E,6Z,10E)-14-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-1-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-6-methyloxane-3,4,5-triol 212773-42-7 CC1OC(OCC2OC(OC\C(C)=C\CC\C(C)=C/CC\C(C)=C\CCC(C)(OC3OC(CO)C(OC4OC(C)C(O)C(O)C4O)C(O)C3O)C=C)C(O)C(O)C2O)C(O)C(O)C1O InChI=1S/C44H74O20/c1-8-44(7,64-43-38(56)34(52)39(26(18-45)61-43)63-42-37(55)32(50)29(47)25(6)60-42)17-11-16-22(3)13-9-12-21(2)14-10-15-23(4)19-57-41-36(54)33(51)30(48)27(62-41)20-58-40-35(53)31(49)28(46)24(5)59-40/h8,12,15-16,24-43,45-56H,1,9-11,13-14,17-20H2,2-7H3/b21-12-,22-16+,23-15+ VWZHZYXUGKPPIX-PRMGPUFCSA-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 0.38 ALOGPS logs -3.38 ALOGPS solubility 3.86e-01 g/l ALOGPS logp -0.3 ChemAxon pka_strongest_acidic 11.68 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 2-[(6-{[(2E,6Z,10E)-14-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraen-1-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-6-methyloxane-3,4,5-triol ChemAxon average_mass 923.0464 ChemAxon mono_mass 922.477344808 ChemAxon smiles CC1OC(OCC2OC(OC\C(C)=C\CC\C(C)=C/CC\C(C)=C\CCC(C)(OC3OC(CO)C(OC4OC(C)C(O)C(O)C4O)C(O)C3O)C=C)C(O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C44H74O20 ChemAxon inchi InChI=1S/C44H74O20/c1-8-44(7,64-43-38(56)34(52)39(26(18-45)61-43)63-42-37(55)32(50)29(47)25(6)60-42)17-11-16-22(3)13-9-12-21(2)14-10-15-23(4)19-57-41-36(54)33(51)30(48)27(62-41)20-58-40-35(53)31(49)28(46)24(5)59-40/h8,12,15-16,24-43,45-56H,1,9-11,13-14,17-20H2,2-7H3/b21-12-,22-16+,23-15+ ChemAxon inchikey VWZHZYXUGKPPIX-PRMGPUFCSA-N ChemAxon polar_surface_area 316.6 ChemAxon refractivity 226.15 ChemAxon polarizability 98.56 ChemAxon rotatable_bond_count 21 ChemAxon acceptor_count 20 ChemAxon donor_count 12 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 120218 Specdb::NmrOneD 120219 Specdb::NmrOneD 120220 Specdb::NmrOneD 120221 Specdb::NmrOneD 120222 Specdb::NmrOneD 120223 Specdb::NmrOneD 120224 Specdb::NmrOneD 120225 Specdb::NmrOneD 120226 Specdb::NmrOneD 120227 Specdb::NmrOneD 120228 Specdb::NmrOneD 120229 Specdb::NmrOneD 120230 Specdb::NmrOneD 120231 Specdb::NmrOneD 120232 Specdb::NmrOneD 120233 Specdb::NmrOneD 120234 Specdb::NmrOneD 120235 Specdb::NmrOneD 120236 Specdb::NmrOneD 120237 Specdb::MsMs 69855 Specdb::MsMs 69856 Specdb::MsMs 69857 Specdb::MsMs 128223 Specdb::MsMs 128224 Specdb::MsMs 128225 Specdb::MsMs 2393614 Specdb::MsMs 2393615 Specdb::MsMs 2393616 Specdb::MsMs 2572481 Specdb::MsMs 2572482 Specdb::MsMs 2572483 HMDB33500 #<Reference:0x000055ce320c4878> 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