1.0 2010-04-08 22:14:11 UTC 2019-11-26 03:17:11 UTC FDB019173 (20R)-Ginsenoside Rg3 Isolated from Panax ginseng (ginseng). (20R)-Ginsenoside Rg3 is found in tea. (20R)-Ginsenoside Rg3 20(R)-Ginsenoside Rg3 C42H72O13 785.0133 784.49729239 2-[(4,5-dihydroxy-2-{[16-hydroxy-14-(2-hydroxy-6-methylhept-5-en-2-yl)-2,6,6,10,11-pentamethyltetracyclo[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-14-(2-hydroxy-6-methylhept-5-en-2-yl)-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxy}-6-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 14197-60-5 CC(C)=CCCC(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/C42H72O13/c1-21(2)10-9-14-42(8,51)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-37-35(33(49)31(47)25(20-44)53-37)55-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3 RWXIFXNRCLMQCD-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 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 a triterpenoid logp 2.27 ALOGPS logs -3.90 ALOGPS solubility 9.90e-02 g/l ALOGPS melting_point Mp 192-194° logp 1.99 ChemAxon pka_strongest_acidic 12.09 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 2-[(4,5-dihydroxy-2-{[16-hydroxy-14-(2-hydroxy-6-methylhept-5-en-2-yl)-2,6,6,10,11-pentamethyltetracyclo[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 785.0133 ChemAxon mono_mass 784.49729239 ChemAxon smiles CC(C)=CCCC(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 C42H72O13 ChemAxon inchi InChI=1S/C42H72O13/c1-21(2)10-9-14-42(8,51)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-37-35(33(49)31(47)25(20-44)53-37)55-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3 ChemAxon inchikey RWXIFXNRCLMQCD-UHFFFAOYSA-N ChemAxon polar_surface_area 218.99 ChemAxon refractivity 202.06 ChemAxon polarizability 88.71 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 13 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 10292 Specdb::MsMs 10293 Specdb::MsMs 10294 Specdb::MsMs 16964 Specdb::MsMs 16965 Specdb::MsMs 16966 Specdb::MsMs 2226354 Specdb::MsMs 2226751 Specdb::MsMs 2227233 Specdb::MsMs 2227995 Specdb::MsMs 2228338 Specdb::MsMs 2228719 Specdb::MsMs 2229067 Specdb::MsMs 2229665 Specdb::MsMs 2229835 Specdb::MsMs 2230363 Specdb::MsMs 2230742 Specdb::MsMs 2231157 Specdb::MsMs 2231391 Specdb::MsMs 2231877 Specdb::MsMs 2232337 Specdb::MsMs 2232833 Specdb::MsMs 2233016 Specdb::MsMs 2233805 Specdb::MsMs 2234368 HMDB39546 #<Reference:0x000055ce32397898> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442