Succinoglycan

Structural Information

Molecular Formula

C₅₇H₉₀O₄₇

SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@H]3[C@H]([C@H](O[C@@H]([C@@H]3O)O)CO)O)CO)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)COC(=O)CCC(=O)O)O)O[C@H]8[C@@H]([C@H]([C@H]9[C@H](O8)CO[C@@](O9)(C)C(=O)O)O)O)O)O)O)O)O)O)O)O

InChI

InChI=1S/C57H90O47/c1-13(61)86-11-20-43(32(73)37(78)53(97-20)99-42-16(7-60)93-52(36(77)31(42)72)101-45-26(67)14(5-58)91-48(83)39(45)80)100-51-35(76)30(71)25(66)18(95-51)10-88-49-34(75)29(70)24(65)17(94-49)9-89-50-40(81)46(27(68)15(6-59)92-50)103-55-41(82)47(28(69)19(96-55)8-87-23(64)4-3-22(62)63)102-54-38(79)33(74)44-21(98-54)12-90-57(2,104-44)56(84)85/h14-21,24-55,58-60,65-83H,3-12H2,1-2H3,(H,62,63)(H,84,85)/t14-,15-,16-,17-,18-,19-,20-,21-,24-,25-,26+,27-,28-,29+,30+,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45+,46+,47+,48+,49+,50-,51+,52+,53+,54+,55+,57-/m1/s1

InChIKey

ZBCGXLXFPUSWRG-KDVGMVFVSA-N

Compound name

(2R,4aR,6S,7R,8R,8aS)-6-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-2-[[(2R,3S,4S,5R,6S)-6-[[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-2-(acetyloxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2S,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(3-carboxypropanoyloxymethyl)-3,5-dihydroxyoxan-4-yl]oxy-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid

Related CIDs

• CID 154586087