Guanidine, ((4r,5r)-5-((3e,7s,8r,9s,10s,13e,15s,16s,17e,19s,20r,21e,23s,24r,26s,28s,30s,31s,32r,33s,34r,36s,38s,39e,42s)-6,8,10,12,14,16,18,20,24,28,34,36-dodecahydroxy-21-(alpha-d-mannopyranosyloxy)-11,13,23,25,29,35,37,41-octamethyl-42-oxooxacyclodotetraconta-4,22,26,30,40-pentaen-2-yl)-4-hydroxyhexyl)-

Structural Information

Molecular Formula

C₆₂H₁₁₁N₃O₂₁

SMILES

C[C@H]1CC/C=C(/C(=O)O[C@@H](C/C=C/[C@H](C[C@@H](C[C@H]([C@@H]([C@@H]([C@H]([C@H](C[C@H](C[C@@H](C[C@H]([C@@H](C=C([C@@H]([C@H](/C=C/[C@@H]([C@H](/C=C/CC[C@@H]([C@@H]([C@@H]1O)C)O)C)O)C)O)C)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)C)O)O)C)O)O)O)O)O)[C@H](C)[C@@H](CCCN=C(N)N)O)\C

InChI

InChI=1S/C62H111N3O21/c1-32-25-42(68)29-47(73)40(9)55(78)56(79)49(75)30-43(69)28-41(67)18-13-21-50(38(7)45(71)20-14-24-65-62(63)64)84-60(83)36(5)17-12-16-34(3)54(77)39(8)46(72)19-11-10-15-33(2)44(70)23-22-35(4)53(76)37(6)27-51(48(74)26-32)85-61-59(82)58(81)57(80)52(31-66)86-61/h10,13,15,17-18,22-23,27,32-35,38-59,61,66-82H,11-12,14,16,19-21,24-26,28-31H2,1-9H3,(H4,63,64,65)/b15-10+,18-13+,23-22+,36-17+,37-27?/t32-,33-,34-,35-,38+,39-,40-,41+,42-,43-,44-,45+,46-,47-,48+,49+,50-,51+,52+,53+,54+,55+,56-,57+,58-,59-,61-/m0/s1

InChIKey

NMTGTXIJDSPVTD-VSLQPLMOSA-N

Compound name

2-[(4R,5R)-5-[(2S,4E,6S,8S,10R,11S,12R,13S,14S,16S,18S,20R,21R,24R,25S,26E,28S,29S,30E,34S,35S,36R,37S,40E)-6,8,10,11,12,14,16,20,24,28,34,36-dodecahydroxy-13,18,23,25,29,35,37,41-octamethyl-42-oxo-21-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclodotetraconta-4,22,26,30,40-pentaen-2-yl]-4-hydroxyhexyl]guanidine

Related CIDs

• CID 6449452