Methyl (1S,2R,18R,19R,22R,34S,37R,52S)-22-amino-2-[(3-amino-2,3,6-trideoxy-α-L-ribo-hexopyranosyl)oxy]-64-{[β-D-arabinopyranosyl-(1->2)-α-D-mannopyranosyl-(1->2)-[6-deoxy-α-L-mannopyran osyl-(1->6)]-β-D-glucopyranosyl]oxy}-18,26,31,44,49-pentahydroxy-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 .2^14,17.2^19,34.1^8,12.1^23,27.1^29,33.1^41,45.0^10,37.0^46,51]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,52S)-22-amino-2-[(3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranosyl)oxy]-64-{[beta-D-arabinopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->2)-[6-deoxy-alpha-L-mannopyran osyl-(1->6)]-beta-D-glucopyranosyl]oxy}-18,26,31,44,49-pentahydroxy-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~.0~10,37~.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

  CC1C2=CC(=CC=1O)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](N)C3C=CC(O)=C(C=3)O2)[C@H](O)C2=CC=C(C=C2)OC2C=C3C=C(OC4=CC=C(C=C4)[C@@H](O[C@H]4C[C@@H](N)[C@@H](O)[C@H](C)O4)[C@@H]4NC(=O)C(NC(=O)[C@@H]3NC1=O)C1C=CC(O)=C(C=1)C1=C(C=C(O)C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](NC4=O)C(=O)OC)C=2O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O

• Std. InChi

  InChI=1S/C95H110N8O44/c1-30-47(109)18-37-20-49(30)139-50-19-35(9-16-46(50)108)59(97)84(125)102-64-68(113)33-5-11-40(12-6-33)137-52-21-38-22-53(81(52)145-95-83(76(121)72(117)56(143-95)29-134-91-78(123)73(118)67(112)32(3)136-91)147-94-82(75(120)71(116)55(27-105)142-94)146-92-77(122)69(114)48(110)28-133-92)138-41-13-7-34(8-14-41)80(144-57-25-44(96)66(111)31(2)135-57)65-89(130)101-63(90(131)132-4)43-23-39(106)24-51(140-93-79(124)74(119)70(115)54(26-104)141-93)58(43)42-17-36(10-15-45(42)107)60(85(126)103-65)98-87(128)62(38)99-86(127)61(37)100-88(64)129/h5-24,31-32,44,48,54-57,59-80,82-83,91-95,104-124H,25-29,96-97H2,1-4H3,(H,98,128)(H,99,127)(H,100,129)(H,101,130)(H,102,125)(H,103,126)/t31-,32-,44+,48+,54+,55+,56+,57-,59+,60?,61-,62+,63-,64+,65-,66-,67-,68+,69+,70+,71+,72+,73+,74-,75-,76-,77-,78+,79-,80+,82-,83+,91+,92-,93+,94+,95-/m0/s1

• Std. InChIKey

  VUOPFFVAZTUEGW-KQRWIXSDSA-N

• Cite this record

  CSID:82950855, http://www.chemspider.com/Chemical-Structure.82950855.html (accessed 13:49, May 11, 2024)