| Properties | Image |
|---|
| MNX_ID | MNXM1062052 |
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| reference | slm:000754664 |
| formula | C93H162N3O37 |
| global charge | -1 |
| mol weight | 1914.303 |
| InChIKey | GTRPCRYKPJPBEN-WZLMPZASSA-M |
| InChI | InChI=1S/C93H163N3O37/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-37-39-41-43-45-47-67(108)95-58(59(105)46-44-42-40-38-36-34-17-15-13-11-9-7-5-2)56-122-88-77(116)75(114)81(65(53-101)126-88)128-89-78(117)76(115)82(66(54-102)127-89)129-90-79(118)85(73(112)63(51-99)124-90)131-87-70(94-57(3)104)83(72(111)62(50-98)123-87)130-91-80(119)86(74(113)64(52-100)125-91)133-93(92(120)121)48-60(106)69(96-68(109)55-103)84(132-93)71(110)61(107)49-97/h12,14,18-19,21-22,24-25,58-66,69-91,97-103,105-107,110-119H,4-11,13,15-17,20,23,26-56H2,1-3H3,(H,94,104)(H,95,108)(H,96,109)(H,120,121)/p-1/b14-12-,19-18-,22-21-,25-24-/t58-,59+,60-,61+,62+,63+,64+,65+,66+,69+,70+,71+,72-,73-,74-,75+,76+,77+,78+,79+,80+,81+,82-,83+,84+,85-,86-,87-,88+,89-,90+,91-,93-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCC(=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@]6(C(=O)[O-])C[C@H](O)[C@@H](NC(=O)CO)[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)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C93H163N3O37/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-37-39-41-43-45-47-67(108)95-58(59(105)46-44-42-40-38-36-34-17-15-13-11-9-7-5-2)56-122-88-77(116)75(114)81(65(53-101)126-88)128-89-78(117)76(115)82(66(54-102)127-89)129-90-79(118)85(73(112)63(51-99)124-90)131-87-70(94-57(3)104)83(72(111)62(50-98)123-87)130-91-80(119)86(74(113)64(52-100)125-91)133-93(92(120)121)48-60(106)69(96-68(109)55-103)84(132-93)71(110)61(107)49-97/h12,14,18-19,21-22,24-25,58-66,69-91,97-103,105-107,110-119H,4-11,13,15-17,20,23,26-56H2,1-3H3,(H,94,104)(H,95,108)(H,96,109)(H,120,121)/b14-12-,19-18-,22-21-,25-24-/t58-,59+,60-,61+,62+,63+,64+,65+,66+,69+,70+,71+,72-,73-,74-,75+,76+,77+,78+,79+,80+,81+,82-,83+,84+,85-,86-,87-,88+,89-,90+,91-,93-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10]/[CH:12]=[CH:14]\[CH2:16]/[CH:18]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH: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:67](=[N:95][C@@H:58]([CH2:56][O:122][C@H:88]1[C@H:77]([OH:116])[C@@H:75]([OH:114])[C@H:81]([O:128][C@H:89]2[C@H:78]([OH:117])[C@@H:76]([OH:115])[C@@H:82]([O:129][C@@H:90]3[C@H:79]([OH:118])[C@@H:85]([O:131][C@H:87]4[C@H:70]([N:94]=[C:57]([CH3:3])[OH:104])[C@@H:83]([O:130][C@H:91]5[C@H:80]([OH:119])[C@@H:86]([O:133][C@:93]6([C:92](=[O:120])[OH:121])[CH2:48][C@H:60]([OH:106])[C@@H:69]([N:96]=[C:68]([CH2:55][OH:103])[OH:109])[C@H:84]([C@@H:71]([C@@H:61]([CH2:49][OH:97])[OH:107])[OH:110])[O:132]6)[C@@H:74]([OH:113])[C@@H:64]([CH2:52][OH:100])[O:125]5)[C@@H:72]([OH:111])[C@@H:62]([CH2:50][OH:98])[O:123]4)[C@@H:73]([OH:112])[C@@H:63]([CH2:51][OH:99])[O:124]3)[C@@H:66]([CH2:54][OH:102])[O:127]2)[C@@H:65]([CH2:53][OH:101])[O:126]1)[C@@H:59]([CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:105])[OH:108] |
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