| Properties | Image |
|---|
| MNX_ID | MNXM1057220 |
 |
| reference | slm:000749776 |
| formula | C90H158N4O44 |
| global charge | -2 |
| mol weight | 2000.238 |
| InChIKey | NWQXALCKFKVPHO-JULNNLCBSA-L |
| InChI | InChI=1S/C90H160N4O44/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-60(109)94-49(50(104)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)44-125-83-71(117)69(115)75(58(42-99)130-83)132-84-72(118)70(116)76(59(43-100)131-84)133-85-73(119)80(67(113)56(40-97)128-85)135-82-63(93-48(5)103)77(66(112)55(39-96)127-82)134-86-74(120)81(68(114)57(41-98)129-86)138-90(88(123)124)37-52(106)62(92-47(4)102)79(137-90)65(111)54(108)45-126-89(87(121)122)36-51(105)61(91-46(3)101)78(136-89)64(110)53(107)38-95/h49-59,61-86,95-100,104-108,110-120H,6-45H2,1-5H3,(H,91,101)(H,92,102)(H,93,103)(H,94,109)(H,121,122)(H,123,124)/p-2/t49-,50+,51-,52-,53+,54+,55+,56+,57+,58+,59+,61+,62+,63+,64+,65+,66-,67-,68-,69+,70+,71+,72+,73+,74+,75+,76-,77+,78+,79+,80-,81-,82-,83+,84-,85+,86-,89+,90-/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@]6(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO[C@]7(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O7)O6)[C@H]5O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C90H160N4O44/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-60(109)94-49(50(104)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)44-125-83-71(117)69(115)75(58(42-99)130-83)132-84-72(118)70(116)76(59(43-100)131-84)133-85-73(119)80(67(113)56(40-97)128-85)135-82-63(93-48(5)103)77(66(112)55(39-96)127-82)134-86-74(120)81(68(114)57(41-98)129-86)138-90(88(123)124)37-52(106)62(92-47(4)102)79(137-90)65(111)54(108)45-126-89(87(121)122)36-51(105)61(91-46(3)101)78(136-89)64(110)53(107)38-95/h49-59,61-86,95-100,104-108,110-120H,6-45H2,1-5H3,(H,91,101)(H,92,102)(H,93,103)(H,94,109)(H,121,122)(H,123,124)/t49-,50+,51-,52-,53+,54+,55+,56+,57+,58+,59+,61+,62+,63+,64+,65+,66-,67-,68-,69+,70+,71+,72+,73+,74+,75+,76-,77+,78+,79+,80-,81-,82-,83+,84-,85+,86-,89+,90-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:60](=[N:94][C@@H:49]([CH2:44][O:125][C@H:83]1[C@H:71]([OH:117])[C@@H:69]([OH:115])[C@H:75]([O:132][C@H:84]2[C@H:72]([OH:118])[C@@H:70]([OH:116])[C@@H:76]([O:133][C@@H:85]3[C@H:73]([OH:119])[C@@H:80]([O:135][C@H:82]4[C@H:63]([N:93]=[C:48]([CH3:5])[OH:103])[C@@H:77]([O:134][C@H:86]5[C@H:74]([OH:120])[C@@H:81]([O:138][C@:90]6([C:88](=[O:123])[OH:124])[CH2:37][C@H:52]([OH:106])[C@@H:62]([N:92]=[C:47]([CH3:4])[OH:102])[C@H:79]([C@@H:65]([C@@H:54]([CH2:45][O:126][C@:89]7([C:87](=[O:121])[OH:122])[CH2:36][C@H:51]([OH:105])[C@@H:61]([N:91]=[C:46]([CH3:3])[OH:101])[C@H:78]([C@@H:64]([C@@H:53]([CH2:38][OH:95])[OH:107])[OH:110])[O:136]7)[OH:108])[OH:111])[O:137]6)[C@@H:68]([OH:114])[C@@H:57]([CH2:41][OH:98])[O:129]5)[C@@H:66]([OH:112])[C@@H:55]([CH2:39][OH:96])[O:127]4)[C@@H:67]([OH:113])[C@@H:56]([CH2:40][OH:97])[O:128]3)[C@@H:59]([CH2:43][OH:100])[O:131]2)[C@@H:58]([CH2:42][OH:99])[O:130]1)[C@@H:50]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:104])[OH:109] |
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