| Properties | Image |
|---|
| MNX_ID | MNXM1061103 |
 |
| reference | slm:000753707 |
| formula | C100H174N2O37 |
| global charge | 0 |
| mol weight | 1996.469 |
| InChIKey | WINMULBVBCEQBA-LNPAQZCOSA-N |
| InChI | InChI=1S/C100H174N2O37/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-44-46-48-50-52-54-72(111)102-64(65(110)53-51-49-47-45-43-41-18-16-14-12-10-8-6-2)61-126-95-85(123)81(119)88(70(59-107)132-95)134-98-86(124)82(120)89(71(60-108)133-98)135-99-87(125)91(77(115)68(57-105)130-99)137-94-73(101-63(4)109)90(76(114)67(56-104)128-94)136-100-93(139-96-83(121)79(117)74(112)62(3)127-96)92(78(116)69(58-106)131-100)138-97-84(122)80(118)75(113)66(55-103)129-97/h7,9,13,15,19-20,22-23,25-26,51,53,62,64-71,73-100,103-108,110,112-125H,5-6,8,10-12,14,16-18,21,24,27-50,52,54-61H2,1-4H3,(H,101,109)(H,102,111)/b9-7-,15-13-,20-19-,23-22-,26-25-,53-51+/t62-,64-,65+,66+,67+,68+,69+,70+,71+,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-,99+,100-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCC(=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]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](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C100H174N2O37/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-44-46-48-50-52-54-72(111)102-64(65(110)53-51-49-47-45-43-41-18-16-14-12-10-8-6-2)61-126-95-85(123)81(119)88(70(59-107)132-95)134-98-86(124)82(120)89(71(60-108)133-98)135-99-87(125)91(77(115)68(57-105)130-99)137-94-73(101-63(4)109)90(76(114)67(56-104)128-94)136-100-93(139-96-83(121)79(117)74(112)62(3)127-96)92(78(116)69(58-106)131-100)138-97-84(122)80(118)75(113)66(55-103)129-97/h7,9,13,15,19-20,22-23,25-26,51,53,62,64-71,73-100,103-108,110,112-125H,5-6,8,10-12,14,16-18,21,24,27-50,52,54-61H2,1-4H3,(H,101,109)(H,102,111)/b9-7-,15-13-,20-19-,23-22-,26-25-,53-51+/t62-,64-,65+,66+,67+,68+,69+,70+,71+,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-,99+,100-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5]/[CH:7]=[CH: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][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][C:72](=[N:102][C@@H:64]([CH2:61][O:126][C@H:95]1[C@H:85]([OH:123])[C@@H:81]([OH:119])[C@H:88]([O:134][C@H:98]2[C@H:86]([OH:124])[C@@H:82]([OH:120])[C@@H:89]([O:135][C@@H:99]3[C@H:87]([OH:125])[C@@H:91]([O:137][C@H:94]4[C@H:73]([N:101]=[C:63]([CH3:4])[OH:109])[C@@H:90]([O:136][C@H:100]5[C@H:93]([O:139][C@H:96]6[C@@H:83]([OH:121])[C@H:79]([OH:117])[C@H:74]([OH:112])[C@H:62]([CH3:3])[O:127]6)[C@@H:92]([O:138][C@@H:97]6[C@H:84]([OH:122])[C@@H:80]([OH:118])[C@@H:75]([OH:113])[C@@H:66]([CH2:55][OH:103])[O:129]6)[C@@H:78]([OH:116])[C@@H:69]([CH2:58][OH:106])[O:131]5)[C@@H:76]([OH:114])[C@@H:67]([CH2:56][OH:104])[O:128]4)[C@@H:77]([OH:115])[C@@H:68]([CH2:57][OH:105])[O:130]3)[C@@H:71]([CH2:60][OH:108])[O:133]2)[C@@H:70]([CH2:59][OH:107])[O:132]1)[C@@H:65](/[CH:53]=[CH:51]/[CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])[OH:110])[OH:111] |
|