(1S,10S,12R,21S,22S,23S,24R)-24-{[4-O-(3-Carboxypropanoyl)-2,6-dideoxy-3-O-methyl-β-D-lyxo-hexopyranosyl-(1->4)-2,3,6-trideoxy-3-methyl-3-nitro-α-L-xylo-hexopyranosyl-(1->4)-2,3,6-trideoxy-3-me thyl-3-nitro-β-D-xylo-hexopyranosyl]oxy}-23-(dimethylamino)-8,12,15,22-tetrahydroxy-1,12-dimethyl-6,17-dioxo-20,25-dioxahexacyclo[19.3.1.0^2,19.0^5,18.0^7,16.0^9,14]pentacosa-2,4,7(16),8,14,18- hexaen-10-yl 2,3,6-trideoxy-3-(dimethylamino)-β-D-lyxo-hexopyranoside

More details:

• Systematic name

  (1S,10S,12R,21S,22S,23S,24R)-24-{[4-O-(3-Carboxypropanoyl)-2,6-dideoxy-3-O-methyl-beta-D-lyxo-hexopyranosyl-(1->4)-2,3,6-trideoxy-3-methyl-3-nitro-alpha-L-xylo-hexopyranosyl-(1->4)-2,3,6-trideoxy-3-me thyl-3-nitro-beta-D-xylo-hexopyranosyl]oxy}-23-(dimethylamino)-8,12,15,22-tetrahydroxy-1,12-dimethyl-6,17-dioxo-20,25-dioxahexacyclo[19.3.1.0~2,19~.0~5,18~.0~7,16~.0~9,14~]pentacosa-2,4,7(16),8,14,18- hexaen-10-yl 2,3,6-trideoxy-3-(dimethylamino)-beta-D-lyxo-hexopyranoside

• SMILES

  CO[C@@H]1C[C@@H](O[C@H](C)[C@@H]1OC(=O)CCC(O)=O)O[C@@H]1[C@H](C)O[C@H](C[C@@]1(C)[N+]([O-])=O)O[C@H]1[C@@H](C)O[C@H](C[C@]1(C)[N+]([O-])=O)O[C@@H]1[C@H]([C@H](O)[C@H]2OC3C4=C(C=CC=3[C@]1(C)O2)C(=O)C1=C(C4=O)C(O)=C2C[C@@](C)(O)C[C@H](O[C@H]3C[C@H]([C@@H](O)[C@@H](C)O3)N(C)C)C2=C1O)N(C)C

• Std. InChi

  InChI=1S/C60H82N4O26/c1-24-45(68)31(61(9)10)18-36(80-24)84-33-21-57(5,74)20-29-40(33)48(71)42-43(47(29)70)49(72)41-28(46(42)69)14-15-30-52(41)89-56-50(73)44(62(11)12)55(60(30,8)90-56)88-39-23-59(7,64(77)78)54(27(4)83-39)87-38-22-58(6,63(75)76)53(26(3)82-38)86-37-19-32(79-13)51(25(2)81-37)85-35(67)17-16-34(65)66/h14-15,24-27,31-33,36-39,44-45,50-51,53-56,68,70-71,73-74H,16-23H2,1-13H3,(H,65,66)/t24-,25-,26+,27-,31-,32-,33+,36+,37+,38+,39+,44+,45+,50+,51+,53-,54+,55-,56+,57-,58-,59+,60+/m1/s1

• Std. InChIKey

  REJZVZSFWFSPHT-CVDRQPDJSA-N

• Cite this record

  CSID:78443055, http://www.chemspider.com/Chemical-Structure.78443055.html (accessed 01:52, Jun 14, 2024)