1.0 2010-04-08 22:15:08 UTC 2025-11-19 02:32:51 UTC FDB020599 Vinaginsenoside R13 Constituent of Panax vietnamensis (Vietnamese ginseng) Vinaginsenoside R13 C48H84O20 981.1686 980.555595128 2-{[2-(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-16-hydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-5,6-dihydroxy-6-methylheptan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[2-(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-16-hydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-5,6-dihydroxy-6-methylheptan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 156398-72-0 CC(C)(O)C(O)CCC(C)(OC1OC(CO)C(O)C(O)C1O)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/C48H84O20/c1-43(2)26-10-15-46(6)27(45(26,5)13-12-29(43)66-42-39(36(59)33(56)25(20-51)65-42)67-40-37(60)34(57)31(54)23(18-49)63-40)17-22(52)30-21(9-14-47(30,46)7)48(8,16-11-28(53)44(3,4)62)68-41-38(61)35(58)32(55)24(19-50)64-41/h21-42,49-62H,9-20H2,1-8H3 IXHBKLVSPJTPAA-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 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 Steroidal glycosides Tertiary alcohols 12-hydroxysteroid 24-hydroxysteroid 25-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 Steroidal glycoside Tertiary alcohol Triterpenoid logp -0.16 ALOGPS logs -2.86 ALOGPS solubility 1.34e+00 g/l ALOGPS logp -1.9 ChemAxon pka_strongest_acidic 11.85 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-{[2-(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-16-hydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl)-5,6-dihydroxy-6-methylheptan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 981.1686 ChemAxon mono_mass 980.555595128 ChemAxon smiles CC(C)(O)C(O)CCC(C)(OC1OC(CO)C(O)C(O)C1O)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 C48H84O20 ChemAxon inchi InChI=1S/C48H84O20/c1-43(2)26-10-15-46(6)27(45(26,5)13-12-29(43)66-42-39(36(59)33(56)25(20-51)65-42)67-40-37(60)34(57)31(54)23(18-49)63-40)17-22(52)30-21(9-14-47(30,46)7)48(8,16-11-28(53)44(3,4)62)68-41-38(61)35(58)32(55)24(19-50)64-41/h21-42,49-62H,9-20H2,1-8H3 ChemAxon inchikey IXHBKLVSPJTPAA-UHFFFAOYSA-N ChemAxon polar_surface_area 338.6 ChemAxon refractivity 236.82 ChemAxon polarizability 105.85 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 20 ChemAxon donor_count 14 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 43322 Specdb::NmrOneD 43323 Specdb::NmrOneD 43324 Specdb::NmrOneD 43325 Specdb::NmrOneD 43326 Specdb::NmrOneD 43327 Specdb::NmrOneD 43328 Specdb::NmrOneD 43329 Specdb::NmrOneD 43330 Specdb::NmrOneD 43331 Specdb::NmrOneD 43332 Specdb::NmrOneD 43333 Specdb::NmrOneD 43334 Specdb::NmrOneD 43335 Specdb::NmrOneD 43336 Specdb::NmrOneD 43337 Specdb::NmrOneD 43338 Specdb::NmrOneD 43339 Specdb::NmrOneD 43340 Specdb::NmrOneD 43341 Specdb::MsMs 9926 Specdb::MsMs 9927 Specdb::MsMs 9928 Specdb::MsMs 16598 Specdb::MsMs 16599 Specdb::MsMs 16600 Specdb::MsMs 2754607 Specdb::MsMs 2754608 Specdb::MsMs 2754609 Specdb::MsMs 2951658 Specdb::MsMs 2951659 Specdb::MsMs 2951660 HMDB40783 #<Reference:0x000055ce31c33390>