| Properties | Image |
|---|
| MNX_ID | MNXM1058790 |
 |
| reference | slm:000751354 |
| formula | C82H141N3O33 |
| global charge | 0 |
| mol weight | 1697.018 |
| InChIKey | WWOZJLLCBYJYDW-IDAJJJHUSA-N |
| InChI | InChI=1S/C82H141N3O33/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-58(94)85-50(51(93)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)46-107-79-70(104)67(101)73(55(44-89)112-79)115-81-71(105)68(102)74(56(45-90)113-81)116-82-72(106)76(63(97)54(43-88)111-82)118-78-60(84-49(4)92)75(117-80-69(103)66(100)62(96)53(42-87)110-80)64(98)57(114-78)47-108-77-59(83-48(3)91)65(99)61(95)52(41-86)109-77/h13,15,19-20,22-23,25-26,30,32,50-57,59-82,86-90,93,95-106H,5-12,14,16-18,21,24,27-29,31,33-47H2,1-4H3,(H,83,91)(H,84,92)(H,85,94)/b15-13-,20-19-,23-22-,26-25-,32-30-/t50-,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+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=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]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[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/C82H141N3O33/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-58(94)85-50(51(93)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)46-107-79-70(104)67(101)73(55(44-89)112-79)115-81-71(105)68(102)74(56(45-90)113-81)116-82-72(106)76(63(97)54(43-88)111-82)118-78-60(84-49(4)92)75(117-80-69(103)66(100)62(96)53(42-87)110-80)64(98)57(114-78)47-108-77-59(83-48(3)91)65(99)61(95)52(41-86)109-77/h13,15,19-20,22-23,25-26,30,32,50-57,59-82,86-90,93,95-106H,5-12,14,16-18,21,24,27-29,31,33-47H2,1-4H3,(H,83,91)(H,84,92)(H,85,94)/b15-13-,20-19-,23-22-,26-25-,32-30-/t50-,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+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:28]/[CH:30]=[CH:32]\[CH2:34][CH2:36][CH2:38][CH2:40][C:58](=[N:85][C@@H:50]([CH2:46][O:107][C@H:79]1[C@H:70]([OH:104])[C@@H:67]([OH:101])[C@H:73]([O:115][C@H:81]2[C@H:71]([OH:105])[C@@H:68]([OH:102])[C@@H:74]([O:116][C@@H:82]3[C@H:72]([OH:106])[C@@H:76]([O:118][C@H:78]4[C@H:60]([N:84]=[C:49]([CH3:4])[OH:92])[C@@H:75]([O:117][C@H:80]5[C@H:69]([OH:103])[C@@H:66]([OH:100])[C@@H:62]([OH:96])[C@@H:53]([CH2:42][OH:87])[O:110]5)[C@@H:64]([OH:98])[C@@H:57]([CH2:47][O:108][C@H:77]5[C@H:59]([N:83]=[C:48]([CH3:3])[OH:91])[C@@H:65]([OH:99])[C@H:61]([OH:95])[C@@H:52]([CH2:41][OH:86])[O:109]5)[O:114]4)[C@@H:63]([OH:97])[C@@H:54]([CH2:43][OH:88])[O:111]3)[C@@H:56]([CH2:45][OH:90])[O:113]2)[C@@H:55]([CH2:44][OH:89])[O:112]1)[C@@H:51]([CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:93])[OH:94] |
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