| Properties | Image |
|---|
| MNX_ID | MNXM1065034 |
 |
| reference | slm:000757698 |
| formula | C82H142N3O31S |
| global charge | -1 |
| mol weight | 1698.095 |
| InChIKey | YPERITAZJHKASS-FJHCZBCRSA-M |
| InChI | InChI=1S/C82H143N3O31S/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-62(94)85-55(56(93)45-43-41-39-37-35-33-18-16-14-12-10-8-6-2)52-106-80-70(100)69(99)73(61(51-90)111-80)112-81-72(102)77(68(98)60(50-89)109-81)115-82-71(101)76(67(97)59(49-88)110-82)114-78-63(83-53(3)91)74(65(95)57(47-86)107-78)113-79-64(84-54(4)92)75(116-117(103,104)105)66(96)58(48-87)108-79/h7,9,13,15,19-20,22-23,25-26,55-61,63-82,86-90,93,95-102H,5-6,8,10-12,14,16-18,21,24,27-52H2,1-4H3,(H,83,91)(H,84,92)(H,85,94)(H,103,104,105)/p-1/b9-7-,15-13-,20-19-,23-22-,26-25-/t55-,56+,57+,58+,59+,60+,61+,63+,64+,65-,66-,67-,68-,69+,70+,71+,72+,73+,74+,75+,76-,77-,78-,79+,80+,81-,82+/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=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](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](OS(=O)(=O)[O-])[C@H]5NC(C)=O)[C@H]4NC(C)=O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C82H143N3O31S/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-62(94)85-55(56(93)45-43-41-39-37-35-33-18-16-14-12-10-8-6-2)52-106-80-70(100)69(99)73(61(51-90)111-80)112-81-72(102)77(68(98)60(50-89)109-81)115-82-71(101)76(67(97)59(49-88)110-82)114-78-63(83-53(3)91)74(65(95)57(47-86)107-78)113-79-64(84-54(4)92)75(116-117(103,104)105)66(96)58(48-87)108-79/h7,9,13,15,19-20,22-23,25-26,55-61,63-82,86-90,93,95-102H,5-6,8,10-12,14,16-18,21,24,27-52H2,1-4H3,(H,83,91)(H,84,92)(H,85,94)(H,103,104,105)/b9-7-,15-13-,20-19-,23-22-,26-25-/t55-,56+,57+,58+,59+,60+,61+,63+,64+,65-,66-,67-,68-,69+,70+,71+,72+,73+,74+,75+,76-,77-,78-,79+,80+,81-,82+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5]/[CH:7]=[CH:9]\[CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][C:62](=[N:85][C@@H:55]([CH2:52][O:106][C@H:80]1[C@H:70]([OH:100])[C@@H:69]([OH:99])[C@H:73]([O:112][C@H:81]2[C@H:72]([OH:102])[C@@H:77]([O:115][C@@H:82]3[C@H:71]([OH:101])[C@@H:76]([O:114][C@H:78]4[C@H:63]([N:83]=[C:53]([CH3:3])[OH:91])[C@@H:74]([O:113][C@@H:79]5[C@H:64]([N:84]=[C:54]([CH3:4])[OH:92])[C@@H:75]([O:116][S:117]([OH:103])(=[O:104])=[O:105])[C@@H:66]([OH:96])[C@@H:58]([CH2:48][OH:87])[O:108]5)[C@@H:65]([OH:95])[C@@H:57]([CH2:47][OH:86])[O:107]4)[C@@H:67]([OH:97])[C@@H:59]([CH2:49][OH:88])[O:110]3)[C@@H:68]([OH:98])[C@@H:60]([CH2:50][OH:89])[O:109]2)[C@@H:61]([CH2:51][OH:90])[O:111]1)[C@@H:56]([CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:93])[OH:94] |
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