1.0 2010-04-08 22:15:02 UTC 2018-05-29 01:46:41 UTC FDB020464 Vinaginsenoside R8 Constituent of Panax vietnamensis (Vietnamese ginseng) Vinaginsenoside R8 C48H82O19 963.1533 962.545030442 2-{[(4E)-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)-6-hydroxy-6-methylhept-4-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[(4E)-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)-6-hydroxy-6-methylhept-4-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 93376-72-8 CC(C)(O)\C=C\CC(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/C48H82O19/c1-43(2,61)13-9-14-48(8,67-41-38(60)35(57)32(54)25(20-50)63-41)22-10-16-47(7)30(22)23(52)18-28-45(5)15-12-29(44(3,4)27(45)11-17-46(28,47)6)65-42-39(36(58)33(55)26(21-51)64-42)66-40-37(59)34(56)31(53)24(19-49)62-40/h9,13,22-42,49-61H,10-12,14-21H2,1-8H3/b13-9+ IAEZLXLDZBZQPU-UKTHLTGXSA-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 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 0.01 ALOGPS logs -3.31 ALOGPS solubility 4.76e-01 g/l ALOGPS logp -1.1 ChemAxon pka_strongest_acidic 11.85 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-{[(4E)-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)-6-hydroxy-6-methylhept-4-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 963.1533 ChemAxon mono_mass 962.545030442 ChemAxon smiles CC(C)(O)\C=C\CC(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 C48H82O19 ChemAxon inchi InChI=1S/C48H82O19/c1-43(2,61)13-9-14-48(8,67-41-38(60)35(57)32(54)25(20-50)63-41)22-10-16-47(7)30(22)23(52)18-28-45(5)15-12-29(44(3,4)27(45)11-17-46(28,47)6)65-42-39(36(58)33(55)26(21-51)64-42)66-40-37(59)34(56)31(53)24(19-49)62-40/h9,13,22-42,49-61H,10-12,14-21H2,1-8H3/b13-9+ ChemAxon inchikey IAEZLXLDZBZQPU-UKTHLTGXSA-N ChemAxon polar_surface_area 318.37 ChemAxon refractivity 236.42 ChemAxon polarizability 103.85 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 19 ChemAxon donor_count 13 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 33822 Specdb::NmrOneD 33823 Specdb::NmrOneD 33824 Specdb::NmrOneD 33825 Specdb::NmrOneD 33826 Specdb::NmrOneD 33827 Specdb::NmrOneD 33828 Specdb::NmrOneD 33829 Specdb::NmrOneD 33830 Specdb::NmrOneD 33831 Specdb::NmrOneD 33832 Specdb::NmrOneD 33833 Specdb::NmrOneD 33834 Specdb::NmrOneD 33835 Specdb::NmrOneD 33836 Specdb::NmrOneD 33837 Specdb::NmrOneD 33838 Specdb::NmrOneD 33839 Specdb::NmrOneD 33840 Specdb::NmrOneD 33841 Specdb::MsMs 51921 Specdb::MsMs 51922 Specdb::MsMs 51923 Specdb::MsMs 138432 Specdb::MsMs 138433 Specdb::MsMs 138434 Specdb::MsMs 2712224 Specdb::MsMs 2712225 Specdb::MsMs 2712226 Specdb::MsMs 2996609 Specdb::MsMs 2996610 Specdb::MsMs 2996611 HMDB39559 #<Reference:0x000055ce3293d748>