| Properties | Image |
|---|
| MNX_ID | MNXM1066335 |
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| reference | slm:000759444 |
| formula | C88H156N2O32 |
| global charge | 0 |
| mol weight | 1754.198 |
| InChIKey | QGRZNWGRAKNYCK-HZXVWBFNSA-N |
| InChI | InChI=1S/C88H156N2O32/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-64(98)90-57(58(97)47-45-43-41-39-37-35-18-16-14-12-10-8-6-2)54-111-84-76(109)72(105)79(62(52-94)116-84)119-87-77(110)73(106)78(63(53-95)117-87)118-83-65(89-56(4)96)80(68(101)60(50-92)113-83)120-88-82(122-85-74(107)70(103)66(99)55(3)112-85)81(69(102)61(51-93)115-88)121-86-75(108)71(104)67(100)59(49-91)114-86/h13,15,19-20,22-23,25-26,55,57-63,65-88,91-95,97,99-110H,5-12,14,16-18,21,24,27-54H2,1-4H3,(H,89,96)(H,90,98)/b15-13-,20-19-,23-22-,26-25-/t55-,57-,58+,59+,60+,61+,62+,63+,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 | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCC(=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]4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C88H156N2O32/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-64(98)90-57(58(97)47-45-43-41-39-37-35-18-16-14-12-10-8-6-2)54-111-84-76(109)72(105)79(62(52-94)116-84)119-87-77(110)73(106)78(63(53-95)117-87)118-83-65(89-56(4)96)80(68(101)60(50-92)113-83)120-88-82(122-85-74(107)70(103)66(99)55(3)112-85)81(69(102)61(51-93)115-88)121-86-75(108)71(104)67(100)59(49-91)114-86/h13,15,19-20,22-23,25-26,55,57-63,65-88,91-95,97,99-110H,5-12,14,16-18,21,24,27-54H2,1-4H3,(H,89,96)(H,90,98)/b15-13-,20-19-,23-22-,26-25-/t55-,57-,58+,59+,60+,61+,62+,63+,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 |
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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]\[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][C:64](=[N:90][C@@H:57]([CH2:54][O:111][C@H:84]1[C@H:76]([OH:109])[C@@H:72]([OH:105])[C@H:79]([O:119][C@H:87]2[C@H:77]([OH:110])[C@@H:73]([OH:106])[C@@H:78]([O:118][C@H:83]3[C@H:65]([N:89]=[C:56]([CH3:4])[OH:96])[C@@H:80]([O:120][C@H:88]4[C@H:82]([O:122][C@H:85]5[C@@H:74]([OH:107])[C@H:70]([OH:103])[C@H:66]([OH:99])[C@H:55]([CH3:3])[O:112]5)[C@@H:81]([O:121][C@@H:86]5[C@H:75]([OH:108])[C@@H:71]([OH:104])[C@@H:67]([OH:100])[C@@H:59]([CH2:49][OH:91])[O:114]5)[C@@H:69]([OH:102])[C@@H:61]([CH2:51][OH:93])[O:115]4)[C@@H:68]([OH:101])[C@@H:60]([CH2:50][OH:92])[O:113]3)[C@@H:63]([CH2:53][OH:95])[O:117]2)[C@@H:62]([CH2:52][OH:94])[O:116]1)[C@@H:58]([CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:97])[OH:98] |
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