1.0 2010-04-08 22:14:11 UTC 2019-11-26 03:17:11 UTC FDB019171 Ginsenoside Rs2 Isolated from Panax ginseng (ginseng). Ginsenoside Rs2 is found in tea. Ginsenoside Rs2 C55H92O23 1121.3052 1120.60293925 (6-{[14-(2-{[6-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-6-methylhept-5-en-2-yl)-16-hydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxy}-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methyl acetate (6-{[14-(2-{[6-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-6-methylhept-5-en-2-yl)-16-hydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxy}-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methyl acetate 87733-66-2 CC(=O)OCC1OC(OC2CCC3(C)C(CCC4(C)C3CC(O)C3C(CCC43C)C(C)(CCC=C(C)C)OC3OC(COC4OC(CO)C(O)C4O)C(O)C(O)C3O)C2(C)C)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O InChI=1S/C55H92O23/c1-24(2)11-10-15-55(9,78-49-45(69)41(65)38(62)31(74-49)23-71-47-43(67)37(61)29(21-57)72-47)26-12-17-54(8)35(26)27(59)19-33-52(6)16-14-34(51(4,5)32(52)13-18-53(33,54)7)76-50-46(42(66)39(63)30(75-50)22-70-25(3)58)77-48-44(68)40(64)36(60)28(20-56)73-48/h11,26-50,56-57,59-69H,10,12-23H2,1-9H3 YLMBQJRKOKVUCP-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 Alkyl glycosides Carbonyl compounds Carboxylic acid esters Cyclic alcohols and derivatives Disaccharides Fatty acyl glycosides of mono- and disaccharides Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Steroidal glycosides Tetrahydrofurans 12-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Alkyl glycoside Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Disaccharide Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hydrocarbon derivative Hydroxysteroid Monocarboxylic acid or derivatives O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steroid Steroidal glycoside Tetrahydrofuran Triterpenoid logp -0.34 ALOGPS logs -3.36 ALOGPS solubility 4.87e-01 g/l ALOGPS logp -0.48 ChemAxon pka_strongest_acidic 11.75 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac (6-{[14-(2-{[6-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-6-methylhept-5-en-2-yl)-16-hydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxy}-3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methyl acetate ChemAxon average_mass 1121.3052 ChemAxon mono_mass 1120.60293925 ChemAxon smiles CC(=O)OCC1OC(OC2CCC3(C)C(CCC4(C)C3CC(O)C3C(CCC43C)C(C)(CCC=C(C)C)OC3OC(COC4OC(CO)C(O)C4O)C(O)C(O)C3O)C2(C)C)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O ChemAxon formula C55H92O23 ChemAxon inchi InChI=1S/C55H92O23/c1-24(2)11-10-15-55(9,78-49-45(69)41(65)38(62)31(74-49)23-71-47-43(67)37(61)29(21-57)72-47)26-12-17-54(8)35(26)27(59)19-33-52(6)16-14-34(51(4,5)32(52)13-18-53(33,54)7)76-50-46(42(66)39(63)30(75-50)22-70-25(3)58)77-48-44(68)40(64)36(60)28(20-56)73-48/h11,26-50,56-57,59-69H,10,12-23H2,1-9H3 ChemAxon inchikey YLMBQJRKOKVUCP-UHFFFAOYSA-N ChemAxon polar_surface_area 363.13 ChemAxon refractivity 270.08 ChemAxon polarizability 120.29 ChemAxon rotatable_bond_count 18 ChemAxon acceptor_count 22 ChemAxon donor_count 13 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 13052 Specdb::MsMs 13053 Specdb::MsMs 13054 Specdb::MsMs 19724 Specdb::MsMs 19725 Specdb::MsMs 19726 Specdb::MsMs 2380152 Specdb::MsMs 2380153 Specdb::MsMs 2380154 Specdb::MsMs 2558955 Specdb::MsMs 2558956 Specdb::MsMs 2558957 Specdb::NmrOneD 33802 Specdb::NmrOneD 33803 Specdb::NmrOneD 33804 Specdb::NmrOneD 33805 Specdb::NmrOneD 33806 Specdb::NmrOneD 33807 Specdb::NmrOneD 33808 Specdb::NmrOneD 33809 Specdb::NmrOneD 33810 Specdb::NmrOneD 33811 Specdb::NmrOneD 33812 Specdb::NmrOneD 33813 Specdb::NmrOneD 33814 Specdb::NmrOneD 33815 Specdb::NmrOneD 33816 Specdb::NmrOneD 33817 Specdb::NmrOneD 33818 Specdb::NmrOneD 33819 Specdb::NmrOneD 33820 Specdb::NmrOneD 33821 HMDB39552 #<Reference:0x000055ce324bc098> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442