1.0 2010-04-08 22:14:54 UTC 2025-11-19 02:29:08 UTC FDB020253 Notoginsenoside R6 Constituent of Panax notoginseng (ginseng). Notoginsenoside R6 is found in tea. (+)-Notoginsenoside R6 Notoginsenoside R6 C48H82O19 963.1533 962.545030442 2-{[2-(5,16-dihydroxy-2,6,6,10,11-pentamethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-6-methylhept-5-en-2-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol 2-{[2-(5,16-dihydroxy-2,6,6,10,11-pentamethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-6-methylhept-5-en-2-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol 87741-78-4 CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O InChI=1S/C48H82O19/c1-21(2)10-9-13-48(8,67-43-39(61)36(58)33(55)27(66-43)20-62-41-37(59)34(56)31(53)25(18-49)64-41)22-11-15-46(6)30(22)23(51)16-28-45(5)14-12-29(52)44(3,4)40(45)24(17-47(28,46)7)63-42-38(60)35(57)32(54)26(19-50)65-42/h10,22-43,49-61H,9,11-20H2,1-8H3 YPUHYSBFIMWSEC-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 3-hydroxysteroids Acetals Alkyl glycosides Cyclic alcohols and derivatives Disaccharides Fatty acyl glycosides of mono- and disaccharides Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols 12-hydroxysteroid 3-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Alkyl glycoside Cyclic alcohol Disaccharide Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hydrocarbon derivative Hydroxysteroid O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steroid Triterpenoid logp 0.17 ALOGPS logs -2.92 ALOGPS solubility 1.17e+00 g/l ALOGPS logp -1.1 ChemAxon pka_strongest_acidic 11.76 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-{[2-(5,16-dihydroxy-2,6,6,10,11-pentamethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-6-methylhept-5-en-2-yl]oxy}-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol ChemAxon average_mass 963.1533 ChemAxon mono_mass 962.545030442 ChemAxon smiles CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C48H82O19 ChemAxon inchi InChI=1S/C48H82O19/c1-21(2)10-9-13-48(8,67-43-39(61)36(58)33(55)27(66-43)20-62-41-37(59)34(56)31(53)25(18-49)64-41)22-11-15-46(6)30(22)23(51)16-28-45(5)14-12-29(52)44(3,4)40(45)24(17-47(28,46)7)63-42-38(60)35(57)32(54)26(19-50)65-42/h10,22-43,49-61H,9,11-20H2,1-8H3 ChemAxon inchikey YPUHYSBFIMWSEC-UHFFFAOYSA-N ChemAxon polar_surface_area 318.37 ChemAxon refractivity 236.07 ChemAxon polarizability 103.23 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 19 ChemAxon donor_count 13 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 40842 Specdb::NmrOneD 40843 Specdb::NmrOneD 40844 Specdb::NmrOneD 40845 Specdb::NmrOneD 40846 Specdb::NmrOneD 40847 Specdb::NmrOneD 40848 Specdb::NmrOneD 40849 Specdb::NmrOneD 40850 Specdb::NmrOneD 40851 Specdb::NmrOneD 40852 Specdb::NmrOneD 40853 Specdb::NmrOneD 40854 Specdb::NmrOneD 40855 Specdb::NmrOneD 40856 Specdb::NmrOneD 40857 Specdb::NmrOneD 40858 Specdb::NmrOneD 40859 Specdb::NmrOneD 40860 Specdb::NmrOneD 40861 Specdb::MsMs 288652 Specdb::MsMs 288653 Specdb::MsMs 288654 Specdb::MsMs 327841 Specdb::MsMs 327842 Specdb::MsMs 327843 Specdb::MsMs 2303091 Specdb::MsMs 2303092 Specdb::MsMs 2303093 Specdb::MsMs 3065585 Specdb::MsMs 3065586 Specdb::MsMs 3065587 HMDB0040492 Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442