| Properties | Image |
|---|
| MNX_ID | MNXM522969 |
 |
| reference | slm:000487731 |
| formula | C90H160N4O34 |
| global charge | -2 |
| mol weight | 1842.264 |
| InChIKey | DTQIAANYSBPCSX-DULSJCLNSA-L |
| InChI | InChI=1S/C90H162N4O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-37-39-41-43-45-47-68(107)94-59(60(103)46-44-42-40-38-36-34-19-17-15-13-11-9-7-2)55-119-85-77(113)76(112)79(66(53-98)121-85)123-86-78(114)83(80(67(54-99)122-86)124-84-71(93-58(5)102)75(111)73(109)64(51-96)120-84)128-90(88(117)118)49-62(105)70(92-57(4)101)82(127-90)74(110)65(52-97)125-89(87(115)116)48-61(104)69(91-56(3)100)81(126-89)72(108)63(106)50-95/h44,46,59-67,69-86,95-99,103-106,108-114H,6-43,45,47-55H2,1-5H3,(H,91,100)(H,92,101)(H,93,102)(H,94,107)(H,115,116)(H,117,118)/p-2/b46-44+/t59-,60+,61-,62-,63+,64+,65+,66+,67+,69+,70+,71+,72+,73-,74+,75+,76+,77+,78+,79+,80-,81+,82+,83+,84-,85+,86-,89+,90-/m0/s1 |
| SMILES | CCCCCCCCCCCCC/C=C/[C@@H](O)[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]3NC(C)=O)[C@H](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)O[C@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C90H162N4O34/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-37-39-41-43-45-47-68(107)94-59(60(103)46-44-42-40-38-36-34-19-17-15-13-11-9-7-2)55-119-85-77(113)76(112)79(66(53-98)121-85)123-86-78(114)83(80(67(54-99)122-86)124-84-71(93-58(5)102)75(111)73(109)64(51-96)120-84)128-90(88(117)118)49-62(105)70(92-57(4)101)82(127-90)74(110)65(52-97)125-89(87(115)116)48-61(104)69(91-56(3)100)81(126-89)72(108)63(106)50-95/h44,46,59-67,69-86,95-99,103-106,108-114H,6-43,45,47-55H2,1-5H3,(H,91,100)(H,92,101)(H,93,102)(H,94,107)(H,115,116)(H,117,118)/b46-44+/t59-,60+,61-,62-,63+,64+,65+,66+,67+,69+,70+,71+,72+,73-,74+,75+,76+,77+,78+,79+,80-,81+,82+,83+,84-,85+,86-,89+,90-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][C:68](=[N:94][C@@H:59]([CH2:55][O:119][C@H:85]1[C@H:77]([OH:113])[C@@H:76]([OH:112])[C@H:79]([O:123][C@H:86]2[C@H:78]([OH:114])[C@@H:83]([O:128][C@:90]3([C:88](=[O:117])[OH:118])[CH2:49][C@H:62]([OH:105])[C@@H:70]([N:92]=[C:57]([CH3:4])[OH:101])[C@H:82]([C@@H:74]([C@@H:65]([CH2:52][OH:97])[O:125][C@:89]4([C:87](=[O:115])[OH:116])[CH2:48][C@H:61]([OH:104])[C@@H:69]([N:91]=[C:56]([CH3:3])[OH:100])[C@H:81]([C@@H:72]([C@@H:63]([CH2:50][OH:95])[OH:106])[OH:108])[O:126]4)[OH:110])[O:127]3)[C@@H:80]([O:124][C@H:84]3[C@H:71]([N:93]=[C:58]([CH3:5])[OH:102])[C@@H:75]([OH:111])[C@@H:73]([OH:109])[C@@H:64]([CH2:51][OH:96])[O:120]3)[C@@H:67]([CH2:54][OH:99])[O:122]2)[C@@H:66]([CH2:53][OH:98])[O:121]1)[C@@H:60](/[CH:46]=[CH:44]/[CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:103])[OH:107] |
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