Quillaic acid 3-[rhamnosyl-(1->3)-[galactosyl-(1->2)]-glucuronide] 28-[glucosyl-(1->3)-[xylosyl-(1->4)]-rhamnosyl-(1->2)-3-[5-[[5-(arabinosyloxy)-3-hydroxy-6-methyl-1-oxooctyl]oxy]-3-hydroxy-6-methyl-1-oxooctyl]-fucosyl] ester

Structural Information

Molecular Formula

C₉₄H₁₅₂O₄₇

SMILES

CCC(C)C(CC(CC(=O)OC(CC(CC(=O)OC1C(C(OC(C1OC2C(C(C(C(O2)C)OC3C(C(C(CO3)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)OC(=O)C56CCC(CC5C7=CCC8C9(CCC(C(C9CCC8(C7(CC6O)C)C)(C)C=O)OC1C(C(C(C(O1)C(=O)O)O)OC1C(C(C(C(O1)C)O)O)O)OC1C(C(C(C(O1)CO)O)O)O)C)(C)C)C)O)O)C(C)CC)O)OC1C(C(C(O1)CO)O)O

InChI

InChI=1S/C94H152O47/c1-14-35(3)45(128-54(103)26-41(100)25-46(36(4)15-2)129-82-66(115)61(110)49(32-97)130-82)24-40(99)27-55(104)134-73-57(106)38(6)126-86(77(73)140-85-71(120)75(137-83-68(117)63(112)59(108)47(30-95)131-83)72(39(7)127-85)135-80-65(114)58(107)44(101)33-124-80)141-88(123)94-23-22-89(8,9)28-43(94)42-16-17-51-90(10)20-19-53(91(11,34-98)50(90)18-21-92(51,12)93(42,13)29-52(94)102)133-87-78(139-84-69(118)64(113)60(109)48(31-96)132-84)74(70(119)76(138-87)79(121)122)136-81-67(116)62(111)56(105)37(5)125-81/h16,34-41,43-53,56-78,80-87,95-97,99-102,105-120H,14-15,17-33H2,1-13H3,(H,121,122)

InChIKey

OAQYXBPPEVBYOJ-UHFFFAOYSA-N

Compound name

6-[[8a-[4-[5-[5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-hydroxy-6-methyloctanoyl]oxy-5-hydroxy-3-[3-hydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-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 131751929