Quillaic acid 3-[galactosyl-(1->2)-[rhamnosyl-(1->3)]-glucuronoside] 28-[xylosyl-(1->3)-xylosyl-(1->4)-rhamnosyl-(1->2)-[rhamnosyl-(1->3)]-4-acetyl-fucosyl] ester

Structural Information

Molecular Formula

C₇₈H₁₂₂O₄₁

SMILES

CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)OC4CCC5(C(C4(C)C=O)CCC6(C5CC=C7C6(CC(C8(C7CC(CC8)(C)C)C(=O)OC9C(C(C(C(O9)C)OC(=O)C)OC1C(C(C(C(O1)C)O)O)O)OC1C(C(C(C(O1)C)OC1C(C(C(CO1)O)OC1C(C(C(CO1)O)O)O)O)O)O)O)C)C)C)C(=O)O)O)O)O)O

InChI

InChI=1S/C78H122O41/c1-26-40(85)44(89)49(94)66(105-26)114-58-53(98)59(63(100)101)115-71(61(58)117-69-51(96)46(91)43(88)35(22-79)110-69)111-39-15-16-74(8)36(75(39,9)25-80)14-17-76(10)37(74)13-12-31-32-20-73(6,7)18-19-78(32,38(84)21-77(31,76)11)72(102)119-70-62(60(56(29(4)108-70)109-30(5)81)116-67-50(95)45(90)41(86)27(2)106-67)118-68-52(97)47(92)55(28(3)107-68)112-65-54(99)57(34(83)24-104-65)113-64-48(93)42(87)33(82)23-103-64/h12,25-29,32-62,64-71,79,82-99H,13-24H2,1-11H3,(H,100,101)

InChIKey

NIGZBYKDLOLGFB-UHFFFAOYSA-N

Compound name

6-[[8a-[5-acetyloxy-3-[5-[3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxycarbonyl-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxane-2-carboxylic acid

Related CIDs

• CID 131751937