| Properties | Image |
|---|
| MNX_ID | MNXM1058704 |
 |
| reference | slm:000751268 |
| formula | C86H147N3O38 |
| global charge | 0 |
| mol weight | 1831.105 |
| InChIKey | XVJJUFDQJCTXCB-KBWNTTQNSA-N |
| InChI | InChI=1S/C86H147N3O38/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-57(99)89-49(61(101)50(98)37-35-33-31-29-27-19-17-15-13-11-9-7-2)45-114-82-71(111)68(108)74(55(43-94)120-82)122-84-72(112)69(109)75(56(44-95)121-84)123-85-73(113)77(64(104)53(41-92)118-85)125-81-59(88-48(5)97)76(63(103)52(40-91)117-81)124-86-79(127-83-70(110)67(107)60(100)46(3)115-83)78(65(105)54(42-93)119-86)126-80-58(87-47(4)96)66(106)62(102)51(39-90)116-80/h14,16,20-21,23-24,26,28,32,34,46,49-56,58-86,90-95,98,100-113H,6-13,15,17-19,22,25,27,29-31,33,35-45H2,1-5H3,(H,87,96)(H,88,97)(H,89,99)/b16-14-,21-20-,24-23-,28-26-,34-32-/t46-,49-,50+,51+,52+,53+,54+,55+,56+,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-,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)[C@H](O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C86H147N3O38/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-57(99)89-49(61(101)50(98)37-35-33-31-29-27-19-17-15-13-11-9-7-2)45-114-82-71(111)68(108)74(55(43-94)120-82)122-84-72(112)69(109)75(56(44-95)121-84)123-85-73(113)77(64(104)53(41-92)118-85)125-81-59(88-48(5)97)76(63(103)52(40-91)117-81)124-86-79(127-83-70(110)67(107)60(100)46(3)115-83)78(65(105)54(42-93)119-86)126-80-58(87-47(4)96)66(106)62(102)51(39-90)116-80/h14,16,20-21,23-24,26,28,32,34,46,49-56,58-86,90-95,98,100-113H,6-13,15,17-19,22,25,27,29-31,33,35-45H2,1-5H3,(H,87,96)(H,88,97)(H,89,99)/b16-14-,21-20-,24-23-,28-26-,34-32-/t46-,49-,50+,51+,52+,53+,54+,55+,56+,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-,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:26]=[CH:28]\[CH2:30]/[CH:32]=[CH:34]\[CH2:36][CH2:38][C:57](=[N:89][C@@H:49]([CH2:45][O:114][C@H:82]1[C@H:71]([OH:111])[C@@H:68]([OH:108])[C@H:74]([O:122][C@H:84]2[C@H:72]([OH:112])[C@@H:69]([OH:109])[C@@H:75]([O:123][C@@H:85]3[C@H:73]([OH:113])[C@@H:77]([O:125][C@H:81]4[C@H:59]([N:88]=[C:48]([CH3:5])[OH:97])[C@@H:76]([O:124][C@H:86]5[C@H:79]([O:127][C@H:83]6[C@@H:70]([OH:110])[C@H:67]([OH:107])[C@H:60]([OH:100])[C@H:46]([CH3:3])[O:115]6)[C@@H:78]([O:126][C@@H:80]6[C@H:58]([N:87]=[C:47]([CH3:4])[OH:96])[C@@H:66]([OH:106])[C@@H:62]([OH:102])[C@@H:51]([CH2:39][OH:90])[O:116]6)[C@@H:65]([OH:105])[C@@H:54]([CH2:42][OH:93])[O:119]5)[C@@H:63]([OH:103])[C@@H:52]([CH2:40][OH:91])[O:117]4)[C@@H:64]([OH:104])[C@@H:53]([CH2:41][OH:92])[O:118]3)[C@@H:56]([CH2:44][OH:95])[O:121]2)[C@@H:55]([CH2:43][OH:94])[O:120]1)[C@@H:61]([C@@H:50]([CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:98])[OH:101])[OH:99] |
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