1.0 2010-04-08 22:09:42 UTC 2019-11-26 03:05:04 UTC FDB011551 Lyciumoside IV Constituent of Lycium chinense (Chinese boxthorn). Lyciumoside IV is found in tea, coffee and coffee products, and herbs and spices. Lyciumoside IV C38H64O16 776.9052 776.419436 2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{[(6E,10Z,14E)-3,7,11,15-tetramethyl-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-1,6,10,14-tetraen-3-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol 2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{[(6E,10Z,14E)-3,7,11,15-tetramethyl-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-1,6,10,14-tetraen-3-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol 212773-31-4 CC1OC(OC2C(CO)OC(OC(C)(CC\C=C(/C)CC\C=C(\C)CC\C=C(/C)COC3OC(CO)C(O)C(O)C3O)C=C)C(O)C2O)C(O)C(O)C1O InChI=1S/C38H64O16/c1-7-38(6,54-37-33(48)30(45)34(25(18-40)52-37)53-36-32(47)28(43)26(41)23(5)50-36)16-10-15-21(3)12-8-11-20(2)13-9-14-22(4)19-49-35-31(46)29(44)27(42)24(17-39)51-35/h7,11,14-15,23-37,39-48H,1,8-10,12-13,16-19H2,2-6H3/b20-11-,21-15+,22-14+ OEOWMDSFDQHCFJ-IDGBGVIZSA-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 0.98 ALOGPS logs -3.41 ALOGPS solubility 3.02e-01 g/l ALOGPS logp 0.42 ChemAxon pka_strongest_acidic 11.76 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{[(6E,10Z,14E)-3,7,11,15-tetramethyl-16-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexadeca-1,6,10,14-tetraen-3-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol ChemAxon average_mass 776.9052 ChemAxon mono_mass 776.419436 ChemAxon smiles CC1OC(OC2C(CO)OC(OC(C)(CC\C=C(/C)CC\C=C(\C)CC\C=C(/C)COC3OC(CO)C(O)C(O)C3O)C=C)C(O)C2O)C(O)C(O)C1O ChemAxon formula C38H64O16 ChemAxon inchi InChI=1S/C38H64O16/c1-7-38(6,54-37-33(48)30(45)34(25(18-40)52-37)53-36-32(47)28(43)26(41)23(5)50-36)16-10-15-21(3)12-8-11-20(2)13-9-14-22(4)19-49-35-31(46)29(44)27(42)24(17-39)51-35/h7,11,14-15,23-37,39-48H,1,8-10,12-13,16-19H2,2-6H3/b20-11-,21-15+,22-14+ ChemAxon inchikey OEOWMDSFDQHCFJ-IDGBGVIZSA-N ChemAxon polar_surface_area 257.68 ChemAxon refractivity 195.28 ChemAxon polarizability 83.17 ChemAxon rotatable_bond_count 19 ChemAxon acceptor_count 16 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 66301 Specdb::CMs 784607 Specdb::CMs 784608 Specdb::CMs 784609 Specdb::CMs 784610 Specdb::CMs 784611 Specdb::CMs 784612 Specdb::CMs 784613 Specdb::CMs 784614 Specdb::CMs 784615 Specdb::CMs 784616 Specdb::CMs 784617 Specdb::CMs 784618 Specdb::CMs 784619 Specdb::CMs 784620 Specdb::CMs 784621 Specdb::CMs 784622 Specdb::CMs 784623 Specdb::CMs 784624 Specdb::CMs 784625 Specdb::CMs 784626 Specdb::MsMs 54027 Specdb::MsMs 54028 Specdb::MsMs 54029 Specdb::MsMs 166092 Specdb::MsMs 166093 Specdb::MsMs 166094 Specdb::MsMs 2715937 Specdb::MsMs 2715938 Specdb::MsMs 2715939 Specdb::MsMs 2966853 Specdb::MsMs 2966854 Specdb::MsMs 2966855 HMDB33499 #<Reference:0x000055ce3258e098> 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