Schembl29398134

Structural Information

Molecular Formula

C₄₀H₆₈N₂O₃₁

SMILES

CC(=O)N[C@@H]1[C@H](C([C@H](O[C@H]1O[C@H]2[C@@H]([C@H](O[C@H]([C@H]2O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)CO)O[C@H]3[C@@H](C([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H](C([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H](C(O5)[C@@H](CO)O)O)O)NC(=O)C)O)O

InChI

InChI=1S/C40H68N2O31/c1-10(50)41-19-25(59)32(18(9-49)67-36(19)72-34-23(57)16(7-47)65-39(28(34)62)68-30(13(53)4-44)21(55)12(52)3-43)70-40-29(63)35(24(58)17(8-48)66-40)73-37-20(42-11(2)51)33(22(56)15(6-46)64-37)71-38-27(61)26(60)31(69-38)14(54)5-45/h3,12-40,44-49,52-63H,4-9H2,1-2H3,(H,41,50)(H,42,51)/t12-,13+,14+,15+,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-/m0/s1

InChIKey

CECUNSINFZGPFB-GYSAPJFVSA-N

Compound name

N-[(2S,3R,4R,6R)-5-[(2S,3R,5S,6R)-4-[(2S,3R,5S,6R)-3-acetamido-4-[(2R,3R,4R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3R,4S,5S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Related CIDs

• CID 22833673