Try beta.chemspider
- 35 of 37 defined stereocentres
Methyl (1S,2R,18R,19R,22R,34S,37R,40R)-22-amino-2-[(3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranosyl)oxy]-64-{[beta-D-arabinopyranosyl-(1->2)-D-mannopyranosyl-(1->2)-[6-deoxy-alpha-L-mannopyranosyl-( 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 sulfate (1:1)
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)OC1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@H]([C@@H]([C@@H](CO1)O)O)O)Oc1ccc(cc1)[C@H]([C@H]1C(=O)NC(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.OS(=O)(=O)O
InChI=1S/C95H110N8O44.H2O4S/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;1-5(2,3)4/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);(H2,1,2,3,4)/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
HHRPQUHYQBGHHF-ADHWPEJWSA-N
CSID:21468884, http://www.chemspider.com/Chemical-Structure.21468884.html (accessed 13:53, Apr 25, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
No predicted properties have been calculated for this compound.
Click to predict properties on the Chemicalize site
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