1.0 2010-04-08 22:10:33 UTC 2025-11-18 23:41:40 UTC FDB013144 Vinaginsenoside R2 Constituent of Panax vietnamensis (Vietnamese gingseng) Vinaginsenoside R2 C43H72O15 829.0228 828.487121634 [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]methyl acetate [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]methyl acetate 156980-42-6 CC(=O)OCC1OC(OC2CC3(C)C(CC(O)C4C(CCC34C)C3(C)CCC(O3)C(C)(C)O)C3(C)CCC(O)C(C)(C)C23)C(OC2OCC(O)C(O)C2O)C(O)C1O InChI=1S/C43H72O15/c1-20(44)53-19-25-31(49)32(50)34(57-36-33(51)30(48)23(46)18-54-36)37(56-25)55-24-17-42(8)26(40(6)13-11-27(47)38(2,3)35(24)40)16-22(45)29-21(10-14-41(29,42)7)43(9)15-12-28(58-43)39(4,5)52/h21-37,45-52H,10-19H2,1-9H3 URPKGNJHPFKECW-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 Carbonyl compounds Carboxylic acid esters Cyclic alcohols and derivatives Dialkyl ethers Disaccharides Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Secondary alcohols Tertiary alcohols Tetrahydrofurans Triterpenoids 12-hydroxysteroid 3-hydroxysteroid Acetal Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Dialkyl ether Disaccharide Ether Glycosyl compound Hydrocarbon derivative Hydroxysteroid Monocarboxylic acid or derivatives O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Secondary alcohol Steroid Tertiary alcohol Tetrahydrofuran Triterpene saponin Triterpenoid logp 1.60 ALOGPS logs -3.81 ALOGPS solubility 1.29e-01 g/l ALOGPS melting_point Mp 186-189° logp 0.77 ChemAxon pka_strongest_acidic 12.11 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac [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]methyl acetate ChemAxon average_mass 829.0228 ChemAxon mono_mass 828.487121634 ChemAxon smiles CC(=O)OCC1OC(OC2CC3(C)C(CC(O)C4C(CCC34C)C3(C)CCC(O3)C(C)(C)O)C3(C)CCC(O)C(C)(C)C23)C(OC2OCC(O)C(O)C2O)C(O)C1O ChemAxon formula C43H72O15 ChemAxon inchi InChI=1S/C43H72O15/c1-20(44)53-19-25-31(49)32(50)34(57-36-33(51)30(48)23(46)18-54-36)37(56-25)55-24-17-42(8)26(40(6)13-11-27(47)38(2,3)35(24)40)16-22(45)29-21(10-14-41(29,42)7)43(9)15-12-28(58-43)39(4,5)52/h21-37,45-52H,10-19H2,1-9H3 ChemAxon inchikey URPKGNJHPFKECW-UHFFFAOYSA-N ChemAxon polar_surface_area 234.29 ChemAxon refractivity 205.68 ChemAxon polarizability 88.93 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 14 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 77811 Specdb::MsMs 77812 Specdb::MsMs 77813 Specdb::MsMs 138030 Specdb::MsMs 138031 Specdb::MsMs 138032 Specdb::MsMs 2367994 Specdb::MsMs 2367995 Specdb::MsMs 2367996 Specdb::MsMs 2567321 Specdb::MsMs 2567322 Specdb::MsMs 2567323 HMDB34625 #<Reference:0x000055ce31da56b0>