1.0 2010-04-08 22:14:03 UTC 2019-11-26 03:16:57 UTC FDB018972 Quinquenoside F1 Constituent of fruit of Panax quinquefolius (American ginseng). Quinquenoside F1 is found in tea. Quinquenoside F1 C42H74O15 819.028 818.502771698 2-[(4,5-dihydroxy-2-{[16-hydroxy-2,6,6,10,11-pentamethyl-14-(2,5,6-trihydroxy-6-methylheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 2-[(4,5-dihydroxy-2-{[16-hydroxy-2,6,6,10,11-pentamethyl-14-(2,5,6-trihydroxy-6-methylheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 336161-28-5 CC(C)(O)C(O)CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C InChI=1S/C42H74O15/c1-37(2)24-10-15-40(6)25(17-21(45)28-20(9-14-41(28,40)7)42(8,53)16-11-26(46)38(3,4)52)39(24,5)13-12-27(37)56-36-34(32(50)30(48)23(19-44)55-36)57-35-33(51)31(49)29(47)22(18-43)54-35/h20-36,43-53H,9-19H2,1-8H3 UGMWBGKFEUXCMG-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Triterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Aliphatic heteropolycyclic compounds 12-hydroxysteroids Acetals Cyclic alcohols and derivatives Disaccharides Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Steroidal glycosides Tertiary alcohols 12-hydroxysteroid 20-hydroxysteroid 24-hydroxysteroid 25-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Disaccharide Glycosyl compound Hydrocarbon derivative Hydroxysteroid O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steroid Steroidal glycoside Tertiary alcohol Triterpenoid logp 0.77 ALOGPS logs -3.49 ALOGPS solubility 2.67e-01 g/l ALOGPS logp -0.15 ChemAxon pka_strongest_acidic 12.08 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-[(4,5-dihydroxy-2-{[16-hydroxy-2,6,6,10,11-pentamethyl-14-(2,5,6-trihydroxy-6-methylheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 819.028 ChemAxon mono_mass 818.502771698 ChemAxon smiles CC(C)(O)C(O)CCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C ChemAxon formula C42H74O15 ChemAxon inchi InChI=1S/C42H74O15/c1-37(2)24-10-15-40(6)25(17-21(45)28-20(9-14-41(28,40)7)42(8,53)16-11-26(46)38(3,4)52)39(24,5)13-12-27(37)56-36-34(32(50)30(48)23(19-44)55-36)57-35-33(51)31(49)29(47)22(18-43)54-35/h20-36,43-53H,9-19H2,1-8H3 ChemAxon inchikey UGMWBGKFEUXCMG-UHFFFAOYSA-N ChemAxon polar_surface_area 259.45 ChemAxon refractivity 204.41 ChemAxon polarizability 89.8 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 15 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 790903 Specdb::CMs 790904 Specdb::CMs 790905 Specdb::CMs 790906 Specdb::CMs 790907 Specdb::CMs 790908 Specdb::CMs 790909 Specdb::CMs 790910 Specdb::CMs 790911 Specdb::CMs 790912 Specdb::CMs 790913 Specdb::MsMs 105381 Specdb::MsMs 105382 Specdb::MsMs 105383 Specdb::MsMs 171858 Specdb::MsMs 171859 Specdb::MsMs 171860 Specdb::MsMs 2469196 Specdb::MsMs 2469197 Specdb::MsMs 2469198 Specdb::MsMs 2493428 Specdb::MsMs 2493429 Specdb::MsMs 2493430 Specdb::NmrOneD 32742 Specdb::NmrOneD 32743 Specdb::NmrOneD 32744 Specdb::NmrOneD 32745 Specdb::NmrOneD 32746 Specdb::NmrOneD 32747 Specdb::NmrOneD 32748 Specdb::NmrOneD 32749 Specdb::NmrOneD 32750 Specdb::NmrOneD 32751 Specdb::NmrOneD 32752 Specdb::NmrOneD 32753 Specdb::NmrOneD 32754 Specdb::NmrOneD 32755 Specdb::NmrOneD 32756 Specdb::NmrOneD 32757 Specdb::NmrOneD 32758 Specdb::NmrOneD 32759 Specdb::NmrOneD 32760 Specdb::NmrOneD 32761 HMDB39398 #<Reference:0x000055ce30e9d460> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442