| Properties | Image |
|---|
| MNX_ID | MNXM1064666 |
 |
| reference | slm:000757330 |
| formula | C98H170N2O37 |
| global charge | 0 |
| mol weight | 1968.415 |
| InChIKey | RZVMDHWIRBIVJF-QNLHIDBFSA-N |
| InChI | InChI=1S/C98H170N2O37/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-70(109)100-62(63(108)51-49-47-45-43-41-39-18-16-14-12-10-8-6-2)59-124-93-83(121)80(118)86(69(58-106)131-93)132-96-85(123)89(76(114)67(56-104)128-96)135-97-84(122)88(75(113)66(55-103)129-97)134-92-71(99-61(4)107)87(74(112)65(54-102)126-92)133-98-91(137-94-81(119)78(116)72(110)60(3)125-94)90(77(115)68(57-105)130-98)136-95-82(120)79(117)73(111)64(53-101)127-95/h13,15,19-20,22-23,25-26,28-29,49,51,60,62-69,71-98,101-106,108,110-123H,5-12,14,16-18,21,24,27,30-48,50,52-59H2,1-4H3,(H,99,107)(H,100,109)/b15-13-,20-19-,23-22-,26-25-,29-28-,51-49+/t60-,62-,63+,64+,65+,66+,67+,68+,69+,71+,72+,73-,74-,75-,76-,77-,78+,79-,80+,81-,82+,83+,84+,85+,86+,87+,88-,89-,90-,91+,92-,93+,94-,95+,96-,97+,98-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCC(=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](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]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C98H170N2O37/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-70(109)100-62(63(108)51-49-47-45-43-41-39-18-16-14-12-10-8-6-2)59-124-93-83(121)80(118)86(69(58-106)131-93)132-96-85(123)89(76(114)67(56-104)128-96)135-97-84(122)88(75(113)66(55-103)129-97)134-92-71(99-61(4)107)87(74(112)65(54-102)126-92)133-98-91(137-94-81(119)78(116)72(110)60(3)125-94)90(77(115)68(57-105)130-98)136-95-82(120)79(117)73(111)64(53-101)127-95/h13,15,19-20,22-23,25-26,28-29,49,51,60,62-69,71-98,101-106,108,110-123H,5-12,14,16-18,21,24,27,30-48,50,52-59H2,1-4H3,(H,99,107)(H,100,109)/b15-13-,20-19-,23-22-,26-25-,29-28-,51-49+/t60-,62-,63+,64+,65+,66+,67+,68+,69+,71+,72+,73-,74-,75-,76-,77-,78+,79-,80+,81-,82+,83+,84+,85+,86+,87+,88-,89-,90-,91+,92-,93+,94-,95+,96-,97+,98-/m0/s1 |
 |
| 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]/[CH:28]=[CH:29]\[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][C:70](=[N:100][C@@H:62]([CH2:59][O:124][C@H:93]1[C@H:83]([OH:121])[C@@H:80]([OH:118])[C@H:86]([O:132][C@H:96]2[C@H:85]([OH:123])[C@@H:89]([O:135][C@@H:97]3[C@H:84]([OH:122])[C@@H:88]([O:134][C@H:92]4[C@H:71]([N:99]=[C:61]([CH3:4])[OH:107])[C@@H:87]([O:133][C@H:98]5[C@H:91]([O:137][C@H:94]6[C@@H:81]([OH:119])[C@H:78]([OH:116])[C@H:72]([OH:110])[C@H:60]([CH3:3])[O:125]6)[C@@H:90]([O:136][C@@H:95]6[C@H:82]([OH:120])[C@@H:79]([OH:117])[C@@H:73]([OH:111])[C@@H:64]([CH2:53][OH:101])[O:127]6)[C@@H:77]([OH:115])[C@@H:68]([CH2:57][OH:105])[O:130]5)[C@@H:74]([OH:112])[C@@H:65]([CH2:54][OH:102])[O:126]4)[C@@H:75]([OH:113])[C@@H:66]([CH2:55][OH:103])[O:129]3)[C@@H:76]([OH:114])[C@@H:67]([CH2:56][OH:104])[O:128]2)[C@@H:69]([CH2:58][OH:106])[O:131]1)[C@@H:63](/[CH:51]=[CH:49]/[CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:108])[OH:109] |
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