| Properties | Image |
|---|
| MNX_ID | MNXM1058429 |
 |
| reference | slm:000750993 |
| formula | C88H152N2O33 |
| global charge | 0 |
| mol weight | 1766.165 |
| InChIKey | FRTASIOUAOGEBV-BLPPOSSTSA-N |
| InChI | InChI=1S/C88H152N2O33/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-39-41-43-45-47-63(98)90-56(66(100)57(97)46-44-42-40-38-36-18-16-14-12-10-8-6-2)53-112-84-75(109)72(106)78(61(51-94)117-84)119-86-76(110)73(107)79(62(52-95)118-86)120-87-77(111)81(69(103)60(50-93)115-87)122-83-64(89-55(4)96)80(68(102)59(49-92)114-83)121-88-82(71(105)67(101)58(48-91)116-88)123-85-74(108)70(104)65(99)54(3)113-85/h7,9,13,15,19-20,22-23,25-26,28-29,54,56-62,64-88,91-95,97,99-111H,5-6,8,10-12,14,16-18,21,24,27,30-53H2,1-4H3,(H,89,96)(H,90,98)/b9-7-,15-13-,20-19-,23-22-,26-25-,29-28-/t54-,56-,57+,58+,59+,60+,61+,62+,64+,65+,66-,67-,68-,69-,70+,71-,72+,73+,74-,75+,76+,77+,78+,79-,80+,81-,82+,83-,84+,85-,86-,87+,88-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=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@H]5O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[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/C88H152N2O33/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-39-41-43-45-47-63(98)90-56(66(100)57(97)46-44-42-40-38-36-18-16-14-12-10-8-6-2)53-112-84-75(109)72(106)78(61(51-94)117-84)119-86-76(110)73(107)79(62(52-95)118-86)120-87-77(111)81(69(103)60(50-93)115-87)122-83-64(89-55(4)96)80(68(102)59(49-92)114-83)121-88-82(71(105)67(101)58(48-91)116-88)123-85-74(108)70(104)65(99)54(3)113-85/h7,9,13,15,19-20,22-23,25-26,28-29,54,56-62,64-88,91-95,97,99-111H,5-6,8,10-12,14,16-18,21,24,27,30-53H2,1-4H3,(H,89,96)(H,90,98)/b9-7-,15-13-,20-19-,23-22-,26-25-,29-28-/t54-,56-,57+,58+,59+,60+,61+,62+,64+,65+,66-,67-,68-,69-,70+,71-,72+,73+,74-,75+,76+,77+,78+,79-,80+,81-,82+,83-,84+,85-,86-,87+,88-/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]/[CH:28]=[CH:29]\[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][C:63](=[N:90][C@@H:56]([CH2:53][O:112][C@H:84]1[C@H:75]([OH:109])[C@@H:72]([OH:106])[C@H:78]([O:119][C@H:86]2[C@H:76]([OH:110])[C@@H:73]([OH:107])[C@@H:79]([O:120][C@@H:87]3[C@H:77]([OH:111])[C@@H:81]([O:122][C@H:83]4[C@H:64]([N:89]=[C:55]([CH3:4])[OH:96])[C@@H:80]([O:121][C@H:88]5[C@H:82]([O:123][C@H:85]6[C@@H:74]([OH:108])[C@H:70]([OH:104])[C@H:65]([OH:99])[C@H:54]([CH3:3])[O:113]6)[C@@H:71]([OH:105])[C@@H:67]([OH:101])[C@@H:58]([CH2:48][OH:91])[O:116]5)[C@@H:68]([OH:102])[C@@H:59]([CH2:49][OH:92])[O:114]4)[C@@H:69]([OH:103])[C@@H:60]([CH2:50][OH:93])[O:115]3)[C@@H:62]([CH2:52][OH:95])[O:118]2)[C@@H:61]([CH2:51][OH:94])[O:117]1)[C@@H:66]([C@@H:57]([CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:97])[OH:100])[OH:98] |
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