1.0 2010-04-08 22:09:42 UTC 2019-11-26 03:05:04 UTC FDB011553 Lyciumoside VII Constituent of Lycium chinense (Chinese boxthorn). Lyciumoside VII is found in tea, coffee and coffee products, and herbs and spices. Lyciumoside VII C44H74O21 939.0458 938.47225943 2-[(3,4-dihydroxy-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}-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methoxy]-6-methyloxane-3,4,5-triol 2-[(3,4-dihydroxy-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}-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methoxy]-6-methyloxane-3,4,5-triol 212773-44-9 CC1OC(OCC2OC(OC\C(C)=C\CC\C(C)=C/CC\C(C)=C\CCC(C)(OC3OC(CO)C(O)C(O)C3O)C=C)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O InChI=1S/C44H74O21/c1-7-44(6,65-42-38(57)34(53)30(49)26(18-46)62-42)16-10-15-22(3)12-8-11-21(2)13-9-14-23(4)19-58-43-39(64-41-37(56)33(52)29(48)25(17-45)61-41)35(54)31(50)27(63-43)20-59-40-36(55)32(51)28(47)24(5)60-40/h7,11,14-15,24-43,45-57H,1,8-10,12-13,16-20H2,2-6H3/b21-11-,22-15+,23-14+ SXABFGWDVXEPQT-WMKUFMTOSA-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 Hydrocarbon derivatives O-glycosyl compounds Oligosaccharides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Diterpene glycoside Diterpenoid Fatty acyl Fatty acyl glycoside Glycosyl compound Hydrocarbon derivative O-glycosyl compound Oligosaccharide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp -0.19 ALOGPS logs -3.22 ALOGPS solubility 5.60e-01 g/l ALOGPS logp -1.4 ChemAxon pka_strongest_acidic 11.75 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-[(3,4-dihydroxy-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}-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methoxy]-6-methyloxane-3,4,5-triol ChemAxon average_mass 939.0458 ChemAxon mono_mass 938.47225943 ChemAxon smiles CC1OC(OCC2OC(OC\C(C)=C\CC\C(C)=C/CC\C(C)=C\CCC(C)(OC3OC(CO)C(O)C(O)C3O)C=C)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C44H74O21 ChemAxon inchi InChI=1S/C44H74O21/c1-7-44(6,65-42-38(57)34(53)30(49)26(18-46)62-42)16-10-15-22(3)12-8-11-21(2)13-9-14-23(4)19-58-43-39(64-41-37(56)33(52)29(48)25(17-45)61-41)35(54)31(50)27(63-43)20-59-40-36(55)32(51)28(47)24(5)60-40/h7,11,14-15,24-43,45-57H,1,8-10,12-13,16-20H2,2-6H3/b21-11-,22-15+,23-14+ ChemAxon inchikey SXABFGWDVXEPQT-WMKUFMTOSA-N ChemAxon polar_surface_area 336.83 ChemAxon refractivity 227.7 ChemAxon polarizability 98.66 ChemAxon rotatable_bond_count 22 ChemAxon acceptor_count 21 ChemAxon donor_count 13 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 53181 Specdb::MsMs 53182 Specdb::MsMs 53183 Specdb::MsMs 129777 Specdb::MsMs 129778 Specdb::MsMs 129779 Specdb::MsMs 3036887 Specdb::MsMs 3036888 Specdb::MsMs 3036889 Specdb::MsMs 3106559 Specdb::MsMs 3106560 Specdb::MsMs 3106561 Specdb::NmrOneD 120238 Specdb::NmrOneD 120239 Specdb::NmrOneD 120240 Specdb::NmrOneD 120241 Specdb::NmrOneD 120242 Specdb::NmrOneD 120243 Specdb::NmrOneD 120244 Specdb::NmrOneD 120245 Specdb::NmrOneD 120246 Specdb::NmrOneD 120247 Specdb::NmrOneD 120248 Specdb::NmrOneD 120249 Specdb::NmrOneD 120250 Specdb::NmrOneD 120251 Specdb::NmrOneD 120252 Specdb::NmrOneD 120253 Specdb::NmrOneD 120254 Specdb::NmrOneD 120255 Specdb::NmrOneD 120256 Specdb::NmrOneD 120257 HMDB33501 #<Reference:0x000055ce319f9278> 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