[(3r,4r)-5-[(3r,4r,6r)-3-acetamido-5-[(2s,3s,4s,5r,6r)-4-[(2r,4s,5s,6r)-3-[(2r,5s,6r)-3-[(2r,5r,6r)-4-[(2r,3r,4s,5r,6r)-4-[(2r,3r,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2s,3s,4s,5r,6r)-4-[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamic acid

Structural Information

Molecular Formula

C₈₇H₁₄₆N₂O₇₂

SMILES

CC(=O)N[C@@H]1[C@H](C([C@H](OC1OC2[C@@H]([C@H](C(OC2CO)O)NC(=O)O)O)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[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)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O[C@@H]9C([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@@H]1C(C([C@@H]([C@H](O1)CO)O)O)O[C@@H]1C(C([C@@H]([C@H](O1)CO)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O

InChI

InChI=1S/C87H146N2O72/c1-16(102)88-32-46(116)63(28(13-101)148-74(32)151-62-27(12-100)137-73(132)31(45(62)115)89-87(133)134)152-82-61(131)68(44(114)30(150-82)14-135-75-57(127)67(156-84-70(51(121)37(107)21(6-94)145-84)159-78-56(126)49(119)35(105)19(4-92)140-78)43(113)29(149-75)15-136-83-69(50(120)36(106)20(5-93)144-83)158-77-55(125)48(118)34(104)18(3-91)139-77)157-85-72(53(123)39(109)22(7-95)146-85)161-86-71(52(122)38(108)23(8-96)147-86)160-81-60(130)66(42(112)26(11-99)143-81)155-80-59(129)65(41(111)25(10-98)142-80)154-79-58(128)64(40(110)24(9-97)141-79)153-76-54(124)47(117)33(103)17(2-90)138-76/h17-86,89-101,103-132H,2-15H2,1H3,(H,88,102)(H,133,134)/t17-,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-,55+,56+,57+,58-,59-,60?,61+,62?,63?,64+,65+,66?,67+,68+,69+,70+,71?,72?,73?,74?,75+,76-,77-,78-,79-,80-,81-,82+,83+,84-,85-,86-/m1/s1

InChIKey

BWOCSLIXPIONPQ-YFSWHRNGSA-N

Compound name

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

Related CIDs

• CID 90658561