1.0 2010-04-08 22:14:04 UTC 2025-11-19 02:16:06 UTC FDB018991 Araliasaponin V Constituent of Aralia elata (Japanese angelica tree). Araliasaponin V is found in green vegetables. (-)-quinpirole Araliasaponin V Congmunoside V Quinpirol Quinpirole Quinpirole [inn] Quinpirolum C54H88O23 1105.2627 1104.571639122 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-{[5-hydroxy-6-(hydroxymethyl)-3,4-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-{[5-hydroxy-6-(hydroxymethyl)-3,4-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate 340963-86-2 CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O InChI=1S/C54H88O23/c1-49(2)14-16-54(48(69)77-46-41(68)38(65)34(61)27(21-57)72-46)17-15-52(6)23(24(54)18-49)8-9-30-51(5)12-11-31(50(3,4)29(51)10-13-53(30,52)7)74-47-43(76-45-40(67)37(64)33(60)26(20-56)71-45)42(35(62)28(22-58)73-47)75-44-39(66)36(63)32(59)25(19-55)70-44/h8,24-47,55-68H,9-22H2,1-7H3 MROYUZKXUGPCPD-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 Acetals Carbonyl compounds Carboxylic acid esters Fatty acyl glycosides Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Oligosaccharides Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Triterpenoids Acetal Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acyl Fatty acyl glycoside Glycosyl compound Hydrocarbon derivative Monocarboxylic acid or derivatives O-glycosyl compound Oligosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Triterpene saponin Triterpenoid logp 0.82 ALOGPS logs -3.03 ALOGPS solubility 1.03e+00 g/l ALOGPS logp -0.99 ChemAxon pka_strongest_acidic 11.75 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-{[5-hydroxy-6-(hydroxymethyl)-3,4-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate ChemAxon average_mass 1105.2627 ChemAxon mono_mass 1104.571639122 ChemAxon smiles CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O ChemAxon formula C54H88O23 ChemAxon inchi InChI=1S/C54H88O23/c1-49(2)14-16-54(48(69)77-46-41(68)38(65)34(61)27(21-57)72-46)17-15-52(6)23(24(54)18-49)8-9-30-51(5)12-11-31(50(3,4)29(51)10-13-53(30,52)7)74-47-43(76-45-40(67)37(64)33(60)26(20-56)71-45)42(35(62)28(22-58)73-47)75-44-39(66)36(63)32(59)25(19-55)70-44/h8,24-47,55-68H,9-22H2,1-7H3 ChemAxon inchikey MROYUZKXUGPCPD-UHFFFAOYSA-N ChemAxon polar_surface_area 374.13 ChemAxon refractivity 263.3 ChemAxon polarizability 115.41 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 22 ChemAxon donor_count 14 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 32862 Specdb::NmrOneD 32863 Specdb::NmrOneD 32864 Specdb::NmrOneD 32865 Specdb::NmrOneD 32866 Specdb::NmrOneD 32867 Specdb::NmrOneD 32868 Specdb::NmrOneD 32869 Specdb::NmrOneD 32870 Specdb::NmrOneD 32871 Specdb::NmrOneD 32872 Specdb::NmrOneD 32873 Specdb::NmrOneD 32874 Specdb::NmrOneD 32875 Specdb::NmrOneD 32876 Specdb::NmrOneD 32877 Specdb::NmrOneD 32878 Specdb::NmrOneD 32879 Specdb::NmrOneD 32880 Specdb::NmrOneD 32881 Specdb::MsMs 7508 Specdb::MsMs 7509 Specdb::MsMs 7510 Specdb::MsMs 10229 Specdb::MsMs 10230 Specdb::MsMs 10231 Specdb::MsMs 14180 Specdb::MsMs 14181 Specdb::MsMs 14182 Specdb::MsMs 16901 Specdb::MsMs 16902 Specdb::MsMs 16903 Specdb::MsMs 3059650 Specdb::MsMs 3059651 Specdb::MsMs 3059652 Specdb::MsMs 3107462 Specdb::MsMs 3107463 Specdb::MsMs 3107464 HMDB0039412 Green vegetables Unknown generic