1.02010-04-08 22:09:18 UTC2019-11-26 03:04:07 UTCFDB010790Quinquenoside IIIConstituent of American ginseng (Panax quinquefolium). Quinquenoside III is found in tea.(3b,12b,20S)-Dammar-24-ene-3,12,20-triol 3-[2-glucosyl-6-acetylglucoside] 20-glucoside(3b,12b,20S)-Dammar-24-ene-3,12,20-triol 3-O-[b-D-glucopyranosyl-(1->2)-6-O-acetyl-b-D-glucopyranoside] 20-O-b-D-glucopyranoside(3b,12b,20S)-Dammar-24-ene-3,12,20-triol 3-O-[b-D-glucosyl-(1->2)-6-O-acetyl-b-D-glucoside] 20-O-b-D-glucosideProtopanaxadiol 3-O-[b-D-glucosyl-(1->2)-6-O-acetyl-b-D-glucoside] 20-O-b-D-glucosideQuinquenoside IIIC50H84O19989.1906988.560680506(3,4-dihydroxy-6-{[16-hydroxy-2,6,6,10,11-pentamethyl-14-(6-methyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxy}-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methyl acetate(3,4-dihydroxy-6-{[16-hydroxy-2,6,6,10,11-pentamethyl-14-(6-methyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxy}-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methyl acetate208764-53-8CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(COC(C)=O)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21CInChI=1S/C50H84O19/c1-23(2)11-10-15-50(9,69-44-41(62)38(59)35(56)28(21-52)65-44)25-12-17-49(8)33(25)26(54)19-31-47(6)16-14-32(46(4,5)30(47)13-18-48(31,49)7)67-45-42(39(60)36(57)29(66-45)22-63-24(3)53)68-43-40(61)37(58)34(55)27(20-51)64-43/h11,25-45,51-52,54-62H,10,12-22H2,1-9H3PXHNTRFQGHWVGX-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.TriterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsTriterpenoidslogp1.34logs-3.67solubility2.09e-01 g/lmelting_pointMp 167-169°logp0.66pka_strongest_acidic11.85pka_strongest_basic-3.6iupac(3,4-dihydroxy-6-{[16-hydroxy-2,6,6,10,11-pentamethyl-14-(6-methyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxy}-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)methyl acetateaverage_mass989.1906mono_mass988.560680506smilesCC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(COC(C)=O)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21CformulaC50H84O19inchiInChI=1S/C50H84O19/c1-23(2)11-10-15-50(9,69-44-41(62)38(59)35(56)28(21-52)65-44)25-12-17-49(8)33(25)26(54)19-31-47(6)16-14-32(46(4,5)30(47)13-18-48(31,49)7)67-45-42(39(60)36(57)29(66-45)22-63-24(3)53)68-43-40(61)37(58)34(55)27(20-51)64-43/h11,25-45,51-52,54-62H,10,12-22H2,1-9H3inchikeyPXHNTRFQGHWVGX-UHFFFAOYSA-Npolar_surface_area304.21refractivity243.63polarizability108.04rotatable_bond_count15acceptor_count18donor_count11physiological_charge0formal_charge0Specdb::MsMs55746Specdb::MsMs55747Specdb::MsMs55748Specdb::MsMs110958Specdb::MsMs110959Specdb::MsMs110960Specdb::MsMs2770928Specdb::MsMs2770929Specdb::MsMs2770930Specdb::MsMs2907705Specdb::MsMs2907706Specdb::MsMs2907707HMDB32816#<Reference:0x00005556741badd0>Black teaType 1Green teaType 1Herbal teaType 1Red teaType 1TeaType 1specificCamellia sinensis4442