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

Structural Information

Molecular Formula

C₈₄H₁₃₂O₄₆

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(CO1)(CO)O)O)O)OC1C(C(C(C(O1)CO)O)O)O)O)O)C)C)C)C(=O)O)O)O)O)O

InChI

InChI=1S/C84H132O46/c1-28-42(92)46(96)50(100)69(114-28)124-60-54(104)62(67(108)109)126-75(64(60)128-72-53(103)49(99)45(95)37(23-86)120-72)121-41-15-16-79(8)38(80(41,9)25-87)14-17-81(10)39(79)13-12-33-34-20-78(6,7)18-19-84(34,40(91)21-82(33,81)11)77(110)130-74-65(63(58(31(4)117-74)118-32(5)89)127-70-51(101)47(97)43(93)29(2)115-70)129-73-56(106)61(125-71-52(102)48(98)44(94)36(22-85)119-71)57(30(3)116-73)122-68-55(105)59(35(90)24-112-68)123-76-66(107)83(111,26-88)27-113-76/h12,25,28-31,34-66,68-76,85-86,88,90-107,111H,13-24,26-27H2,1-11H3,(H,108,109)

InChIKey

DYDVEUMBLQOHCZ-UHFFFAOYSA-N

Compound name

6-[[8a-[5-acetyloxy-3-[5-[4-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-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 131752104