| Properties | Image |
|---|
| MNX_ID | MNXM1057375 |
 |
| reference | slm:000749931 |
| formula | C93H162N4O44 |
| global charge | -2 |
| mol weight | 2040.303 |
| InChIKey | GQPDZFWBGOAWKS-MFQDCIOISA-L |
| InChI | InChI=1S/C93H164N4O44/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-38-63(112)97-52(53(107)37-35-33-31-29-27-25-19-17-15-13-11-9-7-2)47-128-86-74(120)72(118)78(61(45-102)133-86)135-87-75(121)73(119)79(62(46-103)134-87)136-88-76(122)83(70(116)59(43-100)131-88)138-85-66(96-51(5)106)80(69(115)58(42-99)130-85)137-89-77(123)84(71(117)60(44-101)132-89)141-93(91(126)127)40-55(109)65(95-50(4)105)82(140-93)68(114)57(111)48-129-92(90(124)125)39-54(108)64(94-49(3)104)81(139-92)67(113)56(110)41-98/h35,37,52-62,64-89,98-103,107-111,113-123H,6-34,36,38-48H2,1-5H3,(H,94,104)(H,95,105)(H,96,106)(H,97,112)(H,124,125)(H,126,127)/p-2/b37-35+/t52-,53+,54-,55-,56+,57+,58+,59+,60+,61+,62+,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+,89-,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]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(C)=O)[C@H]([C@H](O)[C@H](O)CO[C@]7(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O7)O6)[C@H]5O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C93H164N4O44/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-38-63(112)97-52(53(107)37-35-33-31-29-27-25-19-17-15-13-11-9-7-2)47-128-86-74(120)72(118)78(61(45-102)133-86)135-87-75(121)73(119)79(62(46-103)134-87)136-88-76(122)83(70(116)59(43-100)131-88)138-85-66(96-51(5)106)80(69(115)58(42-99)130-85)137-89-77(123)84(71(117)60(44-101)132-89)141-93(91(126)127)40-55(109)65(95-50(4)105)82(140-93)68(114)57(111)48-129-92(90(124)125)39-54(108)64(94-49(3)104)81(139-92)67(113)56(110)41-98/h35,37,52-62,64-89,98-103,107-111,113-123H,6-34,36,38-48H2,1-5H3,(H,94,104)(H,95,105)(H,96,106)(H,97,112)(H,124,125)(H,126,127)/b37-35+/t52-,53+,54-,55-,56+,57+,58+,59+,60+,61+,62+,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+,89-,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][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][C:63](=[N:97][C@@H:52]([CH2:47][O:128][C@H:86]1[C@H:74]([OH:120])[C@@H:72]([OH:118])[C@H:78]([O:135][C@H:87]2[C@H:75]([OH:121])[C@@H:73]([OH:119])[C@@H:79]([O:136][C@@H:88]3[C@H:76]([OH:122])[C@@H:83]([O:138][C@H:85]4[C@H:66]([N:96]=[C:51]([CH3:5])[OH:106])[C@@H:80]([O:137][C@H:89]5[C@H:77]([OH:123])[C@@H:84]([O:141][C@:93]6([C:91](=[O:126])[OH:127])[CH2:40][C@H:55]([OH:109])[C@@H:65]([N:95]=[C:50]([CH3:4])[OH:105])[C@H:82]([C@@H:68]([C@@H:57]([CH2:48][O:129][C@:92]7([C:90](=[O:124])[OH:125])[CH2:39][C@H:54]([OH:108])[C@@H:64]([N:94]=[C:49]([CH3:3])[OH:104])[C@H:81]([C@@H:67]([C@@H:56]([CH2:41][OH:98])[OH:110])[OH:113])[O:139]7)[OH:111])[OH:114])[O:140]6)[C@@H:71]([OH:117])[C@@H:60]([CH2:44][OH:101])[O:132]5)[C@@H:69]([OH:115])[C@@H:58]([CH2:42][OH:99])[O:130]4)[C@@H:70]([OH:116])[C@@H:59]([CH2:43][OH:100])[O:131]3)[C@@H:62]([CH2:46][OH:103])[O:134]2)[C@@H:61]([CH2:45][OH:102])[O:133]1)[C@@H:53](/[CH:37]=[CH: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:107])[OH:112] |
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