| Properties | Image |
|---|
| MNX_ID | MNXM1062177 |
 |
| reference | slm:000754797 |
| formula | C89H162N3O38 |
| global charge | -1 |
| mol weight | 1882.258 |
| InChIKey | YEHVDISRMUWOSY-JACPSAESSA-M |
| InChI | InChI=1S/C89H163N3O38/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-62(104)91-53(66(106)54(101)41-39-37-35-33-31-17-15-13-11-9-7-5-2)51-119-84-73(113)71(111)77(60(48-97)123-84)125-85-74(114)72(112)78(61(49-98)124-85)126-86-75(115)81(69(109)58(46-95)121-86)128-83-65(90-52(3)100)79(68(108)57(45-94)120-83)127-87-76(116)82(70(110)59(47-96)122-87)130-89(88(117)118)43-55(102)64(92-63(105)50-99)80(129-89)67(107)56(103)44-93/h53-61,64-87,93-99,101-103,106-116H,4-51H2,1-3H3,(H,90,100)(H,91,104)(H,92,105)(H,117,118)/p-1/t53-,54+,55-,56+,57+,58+,59+,60+,61+,64+,65+,66-,67+,68-,69-,70-,71+,72+,73+,74+,75+,76+,77+,78-,79+,80+,81-,82-,83-,84+,85-,86+,87-,89-/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=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(=O)CO)[C@H]([C@H](O)[C@H](O)CO)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)[C@H](O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C89H163N3O38/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-62(104)91-53(66(106)54(101)41-39-37-35-33-31-17-15-13-11-9-7-5-2)51-119-84-73(113)71(111)77(60(48-97)123-84)125-85-74(114)72(112)78(61(49-98)124-85)126-86-75(115)81(69(109)58(46-95)121-86)128-83-65(90-52(3)100)79(68(108)57(45-94)120-83)127-87-76(116)82(70(110)59(47-96)122-87)130-89(88(117)118)43-55(102)64(92-63(105)50-99)80(129-89)67(107)56(103)44-93/h53-61,64-87,93-99,101-103,106-116H,4-51H2,1-3H3,(H,90,100)(H,91,104)(H,92,105)(H,117,118)/t53-,54+,55-,56+,57+,58+,59+,60+,61+,64+,65+,66-,67+,68-,69-,70-,71+,72+,73+,74+,75+,76+,77+,78-,79+,80+,81-,82-,83-,84+,85-,86+,87-,89-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][C:62](=[N:91][C@@H:53]([CH2:51][O:119][C@H:84]1[C@H:73]([OH:113])[C@@H:71]([OH:111])[C@H:77]([O:125][C@H:85]2[C@H:74]([OH:114])[C@@H:72]([OH:112])[C@@H:78]([O:126][C@@H:86]3[C@H:75]([OH:115])[C@@H:81]([O:128][C@H:83]4[C@H:65]([N:90]=[C:52]([CH3:3])[OH:100])[C@@H:79]([O:127][C@H:87]5[C@H:76]([OH:116])[C@@H:82]([O:130][C@:89]6([C:88](=[O:117])[OH:118])[CH2:43][C@H:55]([OH:102])[C@@H:64]([N:92]=[C:63]([CH2:50][OH:99])[OH:105])[C@H:80]([C@@H:67]([C@@H:56]([CH2:44][OH:93])[OH:103])[OH:107])[O:129]6)[C@@H:70]([OH:110])[C@@H:59]([CH2:47][OH:96])[O:122]5)[C@@H:68]([OH:108])[C@@H:57]([CH2:45][OH:94])[O:120]4)[C@@H:69]([OH:109])[C@@H:58]([CH2:46][OH:95])[O:121]3)[C@@H:61]([CH2:49][OH:98])[O:124]2)[C@@H:60]([CH2:48][OH:97])[O:123]1)[C@@H:66]([C@@H:54]([CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:101])[OH:106])[OH:104] |
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