Try beta.chemspider
- 32 of 37 defined stereocentres
Methyl (2R,20R,21R,54S)-24-amino-2-[(3-amino-2,3,6-trideoxy-beta-L-ribo-hexopyranosyl)oxy]-11-{[beta-L-arabinopyranosyl-(1->2)-alpha-L-mannopyranosyl-(1->2)-[6-deoxy-alpha-D-mannopyranosyl-(1->6)]-bet a-L-glucopyranosyl]oxy}-20,28,33,46,51-pentahydroxy-49-(beta-D-mannopyranosyloxy)-32-methyl-23,37,40,58,61-pentaoxo-30,65,67-trioxa-22,38,41,57,60-pentaazatridecacyclo[40.14.2.2~21,36~.1~3,7~.1~6,10~. 1~9,13~.1~12,16~.1~15,19~.1~25,29~.1~31,35~.1~43,47~.0~39,66~.0~48,53~]octahexaconta-3(68),4,6,9(66),10,12,15(64),16,18,25(63),26,28,31(62),32,34,43(59),44,46,48,50,52-henicosaene-54-carboxylate
Cc1c(cc2cc1Oc3cc(ccc3O)C(C(=O)N[C@@H]4[C@@H](c5ccc6c(c5)Cc7c8c9c(c(c7O6)O[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)C)O)O)O)O)O)O[C@H]1[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(cc1C9)[C@H](C1CC[C@@H](c3cc(cc(c3-c3cc(ccc3O)C(C(=O)N1)NC(=O)C8NC(=O)C2NC4=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
InChI=1S/C98H113N7O43/c1-30-50(111)20-39-22-54(30)138-55-21-33(5-12-49(55)110)63(100)88(127)105-67-70(115)35-7-13-52-37(15-35)18-44-62-45-19-38-16-36(8-14-53(38)140-84(45)87(83(44)139-52)148-98-86(78(123)74(119)59(144-98)29-135-94-80(125)75(120)69(114)32(3)137-94)147-97-85(77(122)73(118)58(27-107)143-97)146-95-79(124)71(116)51(112)28-134-95)82(145-60-25-46(99)68(113)31(2)136-60)47-10-9-41(93(132)133-4)42-23-40(108)24-56(141-96-81(126)76(121)72(117)57(26-106)142-96)61(42)43-17-34(6-11-48(43)109)64(89(128)101-47)102-91(130)66(62)104-90(129)65(39)103-92(67)131/h5-8,11-17,20-24,31-32,41,46-47,51,57-60,63-82,85-86,94-98,106-126H,9-10,18-19,25-29,99-100H2,1-4H3,(H,101,128)(H,102,130)(H,103,131)(H,104,129)(H,105,127)/t31-,32+,41-,46+,47?,51-,57+,58-,59-,60+,63?,64?,65?,66?,67+,68-,69+,70+,71-,72+,73-,74-,75-,76-,77+,78+,79+,80-,81-,82+,85+,86-,94-,95+,96+,97-,98+/m0/s1
SGAHMTIMAXYJKX-JWVHJGEPSA-N
CSID:21106475, http://www.chemspider.com/Chemical-Structure.21106475.html (accessed 11:27, Apr 23, 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
Click to predict properties on the Chemicalize site
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