1.0 2010-04-08 22:14:50 UTC 2025-11-19 02:28:24 UTC FDB020151 Vinaginsenoside R5 Constituent of Panax vietnamensis (Vietnamese gingseng) Vinaginsenoside R5 C47H80O19 949.1267 948.529380378 2-[(6-{[2-({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)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxyoxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 2-[(6-{[2-({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)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxyoxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 156009-81-3 CC(C)(O)C1CCC(C)(O1)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(CC21C)OC1OC(CO)C(O)C(O)C1OC1OCC(OC2OC(CO)C(O)C(O)C2O)C(O)C1O InChI=1S/C47H80O19/c1-42(2)27(51)10-12-44(5)26-15-21(50)29-20(47(8)14-11-28(66-47)43(3,4)59)9-13-45(29,6)46(26,7)16-22(38(42)44)61-41-37(34(56)31(53)24(18-49)63-41)65-39-35(57)32(54)25(19-60-39)64-40-36(58)33(55)30(52)23(17-48)62-40/h20-41,48-59H,9-19H2,1-8H3 KJYLEUAWRQFTNS-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 -0.00 ALOGPS logs -2.91 ALOGPS solubility 1.18e+00 g/l ALOGPS logp -1.4 ChemAxon pka_strongest_acidic 11.87 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 2-[(6-{[2-({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)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxyoxan-3-yl)oxy]-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(CO)C(O)C(O)C1OC1OCC(OC2OC(CO)C(O)C(O)C2O)C(O)C1O ChemAxon formula C47H80O19 ChemAxon inchi InChI=1S/C47H80O19/c1-42(2)27(51)10-12-44(5)26-15-21(50)29-20(47(8)14-11-28(66-47)43(3,4)59)9-13-45(29,6)46(26,7)16-22(38(42)44)61-41-37(34(56)31(53)24(18-49)63-41)65-39-35(57)32(54)25(19-60-39)64-40-36(58)33(55)30(52)23(17-48)62-40/h20-41,48-59H,9-19H2,1-8H3 ChemAxon inchikey KJYLEUAWRQFTNS-UHFFFAOYSA-N ChemAxon polar_surface_area 307.37 ChemAxon refractivity 228.94 ChemAxon polarizability 101.13 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 19 ChemAxon donor_count 12 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 301834 Specdb::MsMs 301835 Specdb::MsMs 301836 Specdb::MsMs 344410 Specdb::MsMs 344411 Specdb::MsMs 344412 Specdb::MsMs 2315558 Specdb::MsMs 2315559 Specdb::MsMs 2315560 Specdb::MsMs 2622584 Specdb::MsMs 2622585 Specdb::MsMs 2622586 Specdb::NmrOneD 40322 Specdb::NmrOneD 40323 Specdb::NmrOneD 40324 Specdb::NmrOneD 40325 Specdb::NmrOneD 40326 Specdb::NmrOneD 40327 Specdb::NmrOneD 40328 Specdb::NmrOneD 40329 Specdb::NmrOneD 40330 Specdb::NmrOneD 40331 Specdb::NmrOneD 40332 Specdb::NmrOneD 40333 Specdb::NmrOneD 40334 Specdb::NmrOneD 40335 Specdb::NmrOneD 40336 Specdb::NmrOneD 40337 Specdb::NmrOneD 40338 Specdb::NmrOneD 40339 Specdb::NmrOneD 40340 Specdb::NmrOneD 40341 HMDB40419 #<Reference:0x000055ce30d86770>