1.0 2010-04-08 22:14:50 UTC 2025-11-19 02:28:24 UTC FDB020152 Vinaginsenoside R6 Constituent of Panax vietnamensis (Vietnamese gingseng) Vinaginsenoside R6 C47H80O19 949.1267 948.529380378 2-{[6-({5,16-dihydroxy-14-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-yl}oxy)-3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[6-({5,16-dihydroxy-14-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-yl}oxy)-3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol 156009-82-4 CC(C)(O)C1CCC(C)(O1)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O InChI=1S/C47H80O19/c1-42(2)27(51)10-12-44(5)26-15-21(49)29-20(47(8)14-11-28(66-47)43(3,4)59)9-13-45(29,6)46(26,7)16-23(38(42)44)62-41-37(65-40-35(57)30(52)22(50)18-60-40)34(56)32(54)25(64-41)19-61-39-36(58)33(55)31(53)24(17-48)63-39/h20-41,48-59H,9-19H2,1-8H3 MGROSLQKCJXSBT-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton. Triterpene saponins Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene glycosides Aliphatic heteropolycyclic compounds 12-hydroxysteroids 3-hydroxysteroids Acetals Cyclic alcohols and derivatives Dialkyl ethers Hydrocarbon derivatives O-glycosyl compounds Oligosaccharides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Tertiary alcohols Tetrahydrofurans Triterpenoids 12-hydroxysteroid 3-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Dialkyl ether Ether Glycosyl compound Hydrocarbon derivative Hydroxysteroid O-glycosyl compound Oligosaccharide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steroid Tertiary alcohol Tetrahydrofuran Triterpene saponin Triterpenoid logp -0.02 ALOGPS logs -2.88 ALOGPS solubility 1.24e+00 g/l ALOGPS logp -1.4 ChemAxon pka_strongest_acidic 11.86 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 2-{[6-({5,16-dihydroxy-14-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-yl}oxy)-3,4-dihydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 949.1267 ChemAxon mono_mass 948.529380378 ChemAxon smiles CC(C)(O)C1CCC(C)(O1)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O ChemAxon formula C47H80O19 ChemAxon inchi InChI=1S/C47H80O19/c1-42(2)27(51)10-12-44(5)26-15-21(49)29-20(47(8)14-11-28(66-47)43(3,4)59)9-13-45(29,6)46(26,7)16-23(38(42)44)62-41-37(65-40-35(57)30(52)22(50)18-60-40)34(56)32(54)25(64-41)19-61-39-36(58)33(55)31(53)24(17-48)63-39/h20-41,48-59H,9-19H2,1-8H3 ChemAxon inchikey MGROSLQKCJXSBT-UHFFFAOYSA-N ChemAxon polar_surface_area 307.37 ChemAxon refractivity 228.94 ChemAxon polarizability 100.57 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 19 ChemAxon donor_count 12 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 313234 Specdb::MsMs 313235 Specdb::MsMs 313236 Specdb::MsMs 358681 Specdb::MsMs 358682 Specdb::MsMs 358683 Specdb::MsMs 2691605 Specdb::MsMs 2691606 Specdb::MsMs 2691607 Specdb::MsMs 2991128 Specdb::MsMs 2991129 Specdb::MsMs 2991130 Specdb::NmrOneD 40342 Specdb::NmrOneD 40343 Specdb::NmrOneD 40344 Specdb::NmrOneD 40345 Specdb::NmrOneD 40346 Specdb::NmrOneD 40347 Specdb::NmrOneD 40348 Specdb::NmrOneD 40349 Specdb::NmrOneD 40350 Specdb::NmrOneD 40351 Specdb::NmrOneD 40352 Specdb::NmrOneD 40353 Specdb::NmrOneD 40354 Specdb::NmrOneD 40355 Specdb::NmrOneD 40356 Specdb::NmrOneD 40357 Specdb::NmrOneD 40358 Specdb::NmrOneD 40359 Specdb::NmrOneD 40360 Specdb::NmrOneD 40361 HMDB40420 #<Reference:0x000055ce332e8568>