1.0 2010-04-08 22:11:15 UTC 2019-11-26 03:09:59 UTC FDB014412 Ginsenoside Ra2 From root of Panax ginseng (ginseng). Ginsenoside Ra2 is found in tea. Ginsenoside Ra2 C58H98O26 1211.3831 1210.634633308 2-{[2-(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-16-hydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-6-methylhept-5-en-2-yl]oxy}-6-({[4-hydroxy-5-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol 2-{[2-(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-16-hydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-6-methylhept-5-en-2-yl]oxy}-6-({[4-hydroxy-5-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol 83459-42-1 CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O)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/C58H98O26/c1-24(2)10-9-14-58(8,84-51-46(74)42(70)39(67)31(80-51)23-76-52-47(40(68)30(21-61)78-52)82-49-44(72)36(64)27(63)22-75-49)25-11-16-57(7)35(25)26(62)18-33-55(5)15-13-34(54(3,4)32(55)12-17-56(33,57)6)81-53-48(43(71)38(66)29(20-60)79-53)83-50-45(73)41(69)37(65)28(19-59)77-50/h10,25-53,59-74H,9,11-23H2,1-8H3 UEBIBJSWHIZNCA-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 Cyclic alcohols and derivatives Hydrocarbon derivatives O-glycosyl compounds Oligosaccharides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Steroidal glycosides Tetrahydrofurans 12-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Alkyl glycoside Cyclic alcohol Fatty acyl Fatty acyl glycoside Glycosyl compound Hydrocarbon derivative Hydroxysteroid O-glycosyl compound Oligosaccharide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steroid Steroidal glycoside Tetrahydrofuran Triterpenoid logp -0.82 ALOGPS logs -2.87 ALOGPS solubility 1.65e+00 g/l ALOGPS logp -2.1 ChemAxon pka_strongest_acidic 11.75 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 2-{[2-(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-16-hydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-6-methylhept-5-en-2-yl]oxy}-6-({[4-hydroxy-5-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxolan-2-yl]oxy}methyl)oxane-3,4,5-triol ChemAxon average_mass 1211.3831 ChemAxon mono_mass 1210.634633308 ChemAxon smiles CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O)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 C58H98O26 ChemAxon inchi InChI=1S/C58H98O26/c1-24(2)10-9-14-58(8,84-51-46(74)42(70)39(67)31(80-51)23-76-52-47(40(68)30(21-61)78-52)82-49-44(72)36(64)27(63)22-75-49)25-11-16-57(7)35(25)26(62)18-33-55(5)15-13-34(54(3,4)32(55)12-17-56(33,57)6)81-53-48(43(71)38(66)29(20-60)79-53)83-50-45(73)41(69)37(65)28(19-59)77-50/h10,25-53,59-74H,9,11-23H2,1-8H3 ChemAxon inchikey UEBIBJSWHIZNCA-UHFFFAOYSA-N ChemAxon polar_surface_area 415.98 ChemAxon refractivity 287.38 ChemAxon polarizability 128.24 ChemAxon rotatable_bond_count 18 ChemAxon acceptor_count 26 ChemAxon donor_count 16 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 132338 Specdb::NmrOneD 132339 Specdb::NmrOneD 132340 Specdb::NmrOneD 132341 Specdb::NmrOneD 132342 Specdb::NmrOneD 132343 Specdb::NmrOneD 132344 Specdb::NmrOneD 132345 Specdb::NmrOneD 132346 Specdb::NmrOneD 132347 Specdb::NmrOneD 132348 Specdb::NmrOneD 132349 Specdb::NmrOneD 132350 Specdb::NmrOneD 132351 Specdb::NmrOneD 132352 Specdb::NmrOneD 132353 Specdb::NmrOneD 132354 Specdb::NmrOneD 132355 Specdb::NmrOneD 132356 Specdb::NmrOneD 132357 Specdb::MsMs 77838 Specdb::MsMs 77839 Specdb::MsMs 77840 Specdb::MsMs 138063 Specdb::MsMs 138064 Specdb::MsMs 138065 Specdb::MsMs 2845205 Specdb::MsMs 2845206 Specdb::MsMs 2845207 Specdb::MsMs 2861209 Specdb::MsMs 2861210 Specdb::MsMs 2861211 HMDB35694 #<Reference:0x000055ce333a1310> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442