| Properties | Image |
|---|
| MNX_ID | MNXM1057172 |
 |
| reference | slm:000749728 |
| formula | C92H154N4O45 |
| global charge | -2 |
| mol weight | 2036.227 |
| InChIKey | GSVSXMRIRZMOIZ-XPCLHPCOSA-L |
| InChI | InChI=1S/C92H156N4O45/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-61(111)96-50(65(112)51(106)35-33-31-29-27-25-19-17-15-13-11-9-7-2)45-128-85-73(120)71(118)77(58(43-101)132-85)135-86-74(121)72(119)78(59(44-102)133-86)136-87-75(122)82(69(116)57(42-100)131-87)138-84-64(95-49(5)105)79(68(115)56(41-99)130-84)137-88-76(123)83(141-92(90(126)127)38-53(108)63(94-48(4)104)81(140-92)67(114)55(110)40-98)70(117)60(134-88)46-129-91(89(124)125)37-52(107)62(93-47(3)103)80(139-91)66(113)54(109)39-97/h14,16,20-21,23-24,28,30,50-60,62-88,97-102,106-110,112-123H,6-13,15,17-19,22,25-27,29,31-46H2,1-5H3,(H,93,103)(H,94,104)(H,95,105)(H,96,111)(H,124,125)(H,126,127)/p-2/b16-14-,21-20-,24-23-,30-28-/t50-,51+,52-,53-,54+,55+,56+,57+,58+,59+,60+,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-,87+,88-,91+,92-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=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@]6(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H](O)[C@H](O[C@]6(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[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/C92H156N4O45/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-61(111)96-50(65(112)51(106)35-33-31-29-27-25-19-17-15-13-11-9-7-2)45-128-85-73(120)71(118)77(58(43-101)132-85)135-86-74(121)72(119)78(59(44-102)133-86)136-87-75(122)82(69(116)57(42-100)131-87)138-84-64(95-49(5)105)79(68(115)56(41-99)130-84)137-88-76(123)83(141-92(90(126)127)38-53(108)63(94-48(4)104)81(140-92)67(114)55(110)40-98)70(117)60(134-88)46-129-91(89(124)125)37-52(107)62(93-47(3)103)80(139-91)66(113)54(109)39-97/h14,16,20-21,23-24,28,30,50-60,62-88,97-102,106-110,112-123H,6-13,15,17-19,22,25-27,29,31-46H2,1-5H3,(H,93,103)(H,94,104)(H,95,105)(H,96,111)(H,124,125)(H,126,127)/b16-14-,21-20-,24-23-,30-28-/t50-,51+,52-,53-,54+,55+,56+,57+,58+,59+,60+,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-,87+,88-,91+,92-/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]\[CH2:26]/[CH:28]=[CH:30]\[CH2:32][CH2:34][CH2:36][C:61](=[N:96][C@@H:50]([CH2:45][O:128][C@H:85]1[C@H:73]([OH:120])[C@@H:71]([OH:118])[C@H:77]([O:135][C@H:86]2[C@H:74]([OH:121])[C@@H:72]([OH:119])[C@@H:78]([O:136][C@@H:87]3[C@H:75]([OH:122])[C@@H:82]([O:138][C@H:84]4[C@H:64]([N:95]=[C:49]([CH3:5])[OH:105])[C@@H:79]([O:137][C@H:88]5[C@H:76]([OH:123])[C@@H:83]([O:141][C@:92]6([C:90](=[O:126])[OH:127])[CH2:38][C@H:53]([OH:108])[C@@H:63]([N:94]=[C:48]([CH3:4])[OH:104])[C@H:81]([C@@H:67]([C@@H:55]([CH2:40][OH:98])[OH:110])[OH:114])[O:140]6)[C@@H:70]([OH:117])[C@@H:60]([CH2:46][O:129][C@:91]6([C:89](=[O:124])[OH:125])[CH2:37][C@H:52]([OH:107])[C@@H:62]([N:93]=[C:47]([CH3:3])[OH:103])[C@H:80]([C@@H:66]([C@@H:54]([CH2:39][OH:97])[OH:109])[OH:113])[O:139]6)[O:134]5)[C@@H:68]([OH:115])[C@@H:56]([CH2:41][OH:99])[O:130]4)[C@@H:69]([OH:116])[C@@H:57]([CH2:42][OH:100])[O:131]3)[C@@H:59]([CH2:44][OH:102])[O:133]2)[C@@H:58]([CH2:43][OH:101])[O:132]1)[C@@H:65]([C@@H:51]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:106])[OH:112])[OH:111] |
|