| Properties | Image |
|---|
| MNX_ID | MNXM1058534 |
 |
| reference | slm:000751098 |
| formula | C86H147N3O37 |
| global charge | 0 |
| mol weight | 1815.106 |
| InChIKey | UILWIXSJLQATGO-OLLQITHPSA-N |
| InChI | InChI=1S/C86H147N3O37/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-58(99)89-50(51(98)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)46-113-82-71(110)68(107)74(56(44-94)119-82)121-84-72(111)69(108)75(57(45-95)120-84)122-85-73(112)77(64(103)54(42-92)117-85)124-81-60(88-49(5)97)76(63(102)53(41-91)116-81)123-86-79(126-83-70(109)67(106)61(100)47(3)114-83)78(65(104)55(43-93)118-86)125-80-59(87-48(4)96)66(105)62(101)52(40-90)115-80/h14,16,20-21,23-24,27,29,33,35,47,50-57,59-86,90-95,98,100-112H,6-13,15,17-19,22,25-26,28,30-32,34,36-46H2,1-5H3,(H,87,96)(H,88,97)(H,89,99)/b16-14-,21-20-,24-23-,29-27-,35-33-/t47-,50-,51+,52+,53+,54+,55+,56+,57+,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-,85+,86-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=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]6NC(C)=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)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C86H147N3O37/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-58(99)89-50(51(98)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)46-113-82-71(110)68(107)74(56(44-94)119-82)121-84-72(111)69(108)75(57(45-95)120-84)122-85-73(112)77(64(103)54(42-92)117-85)124-81-60(88-49(5)97)76(63(102)53(41-91)116-81)123-86-79(126-83-70(109)67(106)61(100)47(3)114-83)78(65(104)55(43-93)118-86)125-80-59(87-48(4)96)66(105)62(101)52(40-90)115-80/h14,16,20-21,23-24,27,29,33,35,47,50-57,59-86,90-95,98,100-112H,6-13,15,17-19,22,25-26,28,30-32,34,36-46H2,1-5H3,(H,87,96)(H,88,97)(H,89,99)/b16-14-,21-20-,24-23-,29-27-,35-33-/t47-,50-,51+,52+,53+,54+,55+,56+,57+,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-,85+,86-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25]/[CH:27]=[CH:29]\[CH2:31]/[CH:33]=[CH:35]\[CH2:37][CH2:39][C:58](=[N:89][C@@H:50]([CH2:46][O:113][C@H:82]1[C@H:71]([OH:110])[C@@H:68]([OH:107])[C@H:74]([O:121][C@H:84]2[C@H:72]([OH:111])[C@@H:69]([OH:108])[C@@H:75]([O:122][C@@H:85]3[C@H:73]([OH:112])[C@@H:77]([O:124][C@H:81]4[C@H:60]([N:88]=[C:49]([CH3:5])[OH:97])[C@@H:76]([O:123][C@H:86]5[C@H:79]([O:126][C@H:83]6[C@@H:70]([OH:109])[C@H:67]([OH:106])[C@H:61]([OH:100])[C@H:47]([CH3:3])[O:114]6)[C@@H:78]([O:125][C@@H:80]6[C@H:59]([N:87]=[C:48]([CH3:4])[OH:96])[C@@H:66]([OH:105])[C@@H:62]([OH:101])[C@@H:52]([CH2:40][OH:90])[O:115]6)[C@@H:65]([OH:104])[C@@H:55]([CH2:43][OH:93])[O:118]5)[C@@H:63]([OH:102])[C@@H:53]([CH2:41][OH:91])[O:116]4)[C@@H:64]([OH:103])[C@@H:54]([CH2:42][OH:92])[O:117]3)[C@@H:57]([CH2:45][OH:95])[O:120]2)[C@@H:56]([CH2:44][OH:94])[O:119]1)[C@@H:51]([CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:98])[OH:99] |
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