| Properties | Image |
|---|
| MNX_ID | MNXM525655 |
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| reference | slm:000487169 |
| formula | C93H163N4O37 |
| global charge | -3 |
| mol weight | 1929.318 |
| InChIKey | QWUNYFQHKVDZEK-NXZOMCTASA-K |
| InChI | InChI=1S/C93H166N4O37/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-37-39-41-43-45-47-70(111)97-60(61(106)46-44-42-40-38-36-34-19-17-15-13-11-9-7-2)56-125-86-79(117)78(116)81(69(55-102)127-86)128-87-80(118)85(75(113)66(52-99)126-87)134-93(90(123)124)50-64(109)73(96-59(5)105)84(133-93)77(115)68(54-101)130-92(89(121)122)49-63(108)72(95-58(4)104)83(132-92)76(114)67(53-100)129-91(88(119)120)48-62(107)71(94-57(3)103)82(131-91)74(112)65(110)51-98/h44,46,60-69,71-87,98-102,106-110,112-118H,6-43,45,47-56H2,1-5H3,(H,94,103)(H,95,104)(H,96,105)(H,97,111)(H,119,120)(H,121,122)(H,123,124)/p-3/b46-44+/t60-,61+,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-,91+,92+,93-/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](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](CO)O[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C93H166N4O37/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-37-39-41-43-45-47-70(111)97-60(61(106)46-44-42-40-38-36-34-19-17-15-13-11-9-7-2)56-125-86-79(117)78(116)81(69(55-102)127-86)128-87-80(118)85(75(113)66(52-99)126-87)134-93(90(123)124)50-64(109)73(96-59(5)105)84(133-93)77(115)68(54-101)130-92(89(121)122)49-63(108)72(95-58(4)104)83(132-92)76(114)67(53-100)129-91(88(119)120)48-62(107)71(94-57(3)103)82(131-91)74(112)65(110)51-98/h44,46,60-69,71-87,98-102,106-110,112-118H,6-43,45,47-56H2,1-5H3,(H,94,103)(H,95,104)(H,96,105)(H,97,111)(H,119,120)(H,121,122)(H,123,124)/b46-44+/t60-,61+,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-,91+,92+,93-/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:70](=[N:97][C@@H:60]([CH2:56][O:125][C@H:86]1[C@H:79]([OH:117])[C@@H:78]([OH:116])[C@H:81]([O:128][C@H:87]2[C@H:80]([OH:118])[C@@H:85]([O:134][C@:93]3([C:90](=[O:123])[OH:124])[CH2:50][C@H:64]([OH:109])[C@@H:73]([N:96]=[C:59]([CH3:5])[OH:105])[C@H:84]([C@@H:77]([C@@H:68]([CH2:54][OH:101])[O:130][C@:92]4([C:89](=[O:121])[OH:122])[CH2:49][C@H:63]([OH:108])[C@@H:72]([N:95]=[C:58]([CH3:4])[OH:104])[C@H:83]([C@@H:76]([C@@H:67]([CH2:53][OH:100])[O:129][C@:91]5([C:88](=[O:119])[OH:120])[CH2:48][C@H:62]([OH:107])[C@@H:71]([N:94]=[C:57]([CH3:3])[OH:103])[C@H:82]([C@@H:74]([C@@H:65]([CH2:51][OH:98])[OH:110])[OH:112])[O:131]5)[OH:114])[O:132]4)[OH:115])[O:133]3)[C@@H:75]([OH:113])[C@@H:66]([CH2:52][OH:99])[O:126]2)[C@@H:69]([CH2:55][OH:102])[O:127]1)[C@@H:61](/[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:106])[OH:111] |
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