| Properties | Image |
|---|
| MNX_ID | MNXM1061180 |
 |
| reference | slm:000753784 |
| formula | C84H144N2O38 |
| global charge | 0 |
| mol weight | 1790.052 |
| InChIKey | XFXXGYPTWNSEMO-WFFCFILYSA-N |
| InChI | InChI=1S/C84H144N2O38/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-55(95)86-47(58(97)48(94)36-34-32-30-28-26-18-16-14-12-10-8-6-2)44-111-79-69(108)65(104)72(53(42-91)117-79)119-82-70(109)66(105)73(54(43-92)118-82)120-83-71(110)75(61(100)51(40-89)115-83)122-78-56(85-46(4)93)74(60(99)50(39-88)113-78)121-84-77(124-80-67(106)63(102)57(96)45(3)112-80)76(62(101)52(41-90)116-84)123-81-68(107)64(103)59(98)49(38-87)114-81/h7,9,13,15,19-20,22-23,25,27,45,47-54,56-84,87-92,94,96-110H,5-6,8,10-12,14,16-18,21,24,26,28-44H2,1-4H3,(H,85,93)(H,86,95)/b9-7-,15-13-,20-19-,23-22-,27-25-/t45-,47-,48+,49+,50+,51+,52+,53+,54+,56+,57+,58-,59-,60-,61-,62-,63+,64-,65+,66+,67-,68+,69+,70+,71+,72+,73-,74+,75-,76-,77+,78-,79+,80-,81+,82-,83+,84-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=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]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[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/C84H144N2O38/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-55(95)86-47(58(97)48(94)36-34-32-30-28-26-18-16-14-12-10-8-6-2)44-111-79-69(108)65(104)72(53(42-91)117-79)119-82-70(109)66(105)73(54(43-92)118-82)120-83-71(110)75(61(100)51(40-89)115-83)122-78-56(85-46(4)93)74(60(99)50(39-88)113-78)121-84-77(124-80-67(106)63(102)57(96)45(3)112-80)76(62(101)52(41-90)116-84)123-81-68(107)64(103)59(98)49(38-87)114-81/h7,9,13,15,19-20,22-23,25,27,45,47-54,56-84,87-92,94,96-110H,5-6,8,10-12,14,16-18,21,24,26,28-44H2,1-4H3,(H,85,93)(H,86,95)/b9-7-,15-13-,20-19-,23-22-,27-25-/t45-,47-,48+,49+,50+,51+,52+,53+,54+,56+,57+,58-,59-,60-,61-,62-,63+,64-,65+,66+,67-,68+,69+,70+,71+,72+,73-,74+,75-,76-,77+,78-,79+,80-,81+,82-,83+,84-/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:27]\[CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:55](=[N:86][C@@H:47]([CH2:44][O:111][C@H:79]1[C@H:69]([OH:108])[C@@H:65]([OH:104])[C@H:72]([O:119][C@H:82]2[C@H:70]([OH:109])[C@@H:66]([OH:105])[C@@H:73]([O:120][C@@H:83]3[C@H:71]([OH:110])[C@@H:75]([O:122][C@H:78]4[C@H:56]([N:85]=[C:46]([CH3:4])[OH:93])[C@@H:74]([O:121][C@H:84]5[C@H:77]([O:124][C@H:80]6[C@@H:67]([OH:106])[C@H:63]([OH:102])[C@H:57]([OH:96])[C@H:45]([CH3:3])[O:112]6)[C@@H:76]([O:123][C@@H:81]6[C@H:68]([OH:107])[C@@H:64]([OH:103])[C@@H:59]([OH:98])[C@@H:49]([CH2:38][OH:87])[O:114]6)[C@@H:62]([OH:101])[C@@H:52]([CH2:41][OH:90])[O:116]5)[C@@H:60]([OH:99])[C@@H:50]([CH2:39][OH:88])[O:113]4)[C@@H:61]([OH:100])[C@@H:51]([CH2:40][OH:89])[O:115]3)[C@@H:54]([CH2:43][OH:92])[O:118]2)[C@@H:53]([CH2:42][OH:91])[O:117]1)[C@@H:58]([C@@H:48]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:94])[OH:97])[OH:95] |
|