Methyl (1S,2R,18R,19R,22R,34S,37R,40R,52S)-22-amino-2-[(3-amino-2,3,6-trideoxy-α-L-ribo-hexopyranosyl)oxy]-64-{[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-18,26,31,44,49-penta hydroxy-47-(β-D-mannopyranosyloxy)-30-methyl-21,35,38,54,56,59-hexaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.2^3,6.2^14,17.2^19,34.1^8,12.1^23,27.1^29,33.1^41,45.0^{10,3 7}.0^46,51]hexahexaconta-3,5,8(64),9,11,14,16,23(61),24,26,29(60),30,32,41(57),42,44,46,48,50,62,65-henicosaene-52-carboxylate

More details:

• Systematic name

  Methyl (1S,2R,18R,19R,22R,34S,37R,40R,52S)-22-amino-2-[(3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranosyl)oxy]-64-{[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-18,26,31,44,49-penta hydroxy-47-(beta-D-mannopyranosyloxy)-30-methyl-21,35,38,54,56,59-hexaoxo-7,13,28-trioxa-20,36,39,53,55,58-hexaazaundecacyclo[38.14.2.2~3,6~.2~14,17~.2~19,34~.1~8,12~.1~23,27~.1~29,33~.1~41,45~.0~10,3 7~.0~46,51~]hexahexaconta-3,5,8(64),9,11,14,16,23(61),24,26,29(60),30,32,41(57),42,44,46,48,50,62,65-henicosaene-52-carboxylate

• SMILES

  Cc1c(cc2cc1Oc3cc(ccc3O)[C@H](C(=O)N[C@@H]4[C@@H](c5ccc(cc5)Oc6cc7cc(c6O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)O)O)O)Oc1ccc(cc1)[C@H]([C@H]1C(=O)N[C@@H](c3cc(cc(c3-c3cc(ccc3O)[C@H](C(=O)N1)NC(=O)[C@@H]7NC(=O)[C@H]2NC4=O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C(=O)OC)O[C@H]1C[C@H]([C@H]([C@@H](O1)C)O)N)O)N)O

• Std. InChi

  InChI=1S/C84H92N8O35/c1-28-45(97)18-35-20-46(28)122-47-19-33(9-16-44(47)96)55(86)75(109)91-60-64(100)31-5-11-38(12-6-31)120-49-21-36-22-50(74(49)127-84-72(108)69(105)66(102)52(125-84)27-117-82-70(106)67(103)63(99)30(3)119-82)121-39-13-7-32(8-14-39)73(126-53-25-42(85)62(98)29(2)118-53)61-80(114)90-59(81(115)116-4)41-23-37(94)24-48(123-83-71(107)68(104)65(101)51(26-93)124-83)54(41)40-17-34(10-15-43(40)95)56(76(110)92-61)87-78(112)58(36)88-77(111)57(35)89-79(60)113/h5-24,29-30,42,51-53,55-73,82-84,93-108H,25-27,85-86H2,1-4H3,(H,87,112)(H,88,111)(H,89,113)(H,90,114)(H,91,109)(H,92,110)/t29-,30-,42+,51+,52+,53-,55+,56+,57-,58+,59-,60+,61-,62-,63-,64+,65+,66+,67+,68-,69-,70+,71-,72+,73+,82+,83+,84-/m0/s1

• Std. InChIKey

  YECWLNHQVUKZLG-LHYOAFRFSA-N

• Cite this record

  CSID:34984544, http://www.chemspider.com/Chemical-Structure.34984544.html (accessed 22:36, Apr 18, 2024)