Refchem:983690

Structural Information

Molecular Formula

C₅₄H₉₁N₃O₄₁

SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)NC(=O)C)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)NC(=O)C)O)O

InChI

InChI=1S/C54H91N3O41/c1-12(65)55-23-31(73)41(19(8-62)85-47(23)83)95-52-40(82)44(96-54-46(37(79)29(71)18(7-61)89-54)98-49-25(57-14(3)67)33(75)43(21(10-64)91-49)94-51-39(81)35(77)27(69)16(5-59)87-51)30(72)22(92-52)11-84-53-45(36(78)28(70)17(6-60)88-53)97-48-24(56-13(2)66)32(74)42(20(9-63)90-48)93-50-38(80)34(76)26(68)15(4-58)86-50/h15-54,58-64,68-83H,4-11H2,1-3H3,(H,55,65)(H,56,66)(H,57,67)/t15-,16-,17-,18-,19-,20-,21-,22-,23-,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-/m1/s1

InChIKey

VQSVCLXFIRHGQS-URECAJFDSA-N

Compound name

N-[(2R,3R,4R,5S,6R)-5-[(2S,3S,4S,5R,6R)-4-[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Related CIDs

• CID 5288355