| Properties | Image |
|---|
| MNX_ID | MNXM522652 |
 |
| reference | slm:000486273 |
| formula | C104H176N4O39 |
| global charge | -2 |
| mol weight | 2106.541 |
| InChIKey | CXIMWZCYIVIVIQ-HJUKGTPYSA-L |
| InChI | InChI=1S/C104H178N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-43-45-47-49-51-53-55-78(123)108-68(69(118)54-52-50-48-46-44-42-19-17-15-13-11-9-7-2)64-136-98-87(129)86(128)90(76(62-113)139-98)141-100-89(131)96(147-104(102(134)135)57-71(120)80(106-66(4)116)94(145-104)83(125)73(122)59-110)91(77(63-114)140-100)142-97-81(107-67(5)117)92(84(126)74(60-111)137-97)143-99-88(130)95(85(127)75(61-112)138-99)146-103(101(132)133)56-70(119)79(105-65(3)115)93(144-103)82(124)72(121)58-109/h8,10,14,16,20-21,23-24,26-27,52,54,68-77,79-100,109-114,118-122,124-131H,6-7,9,11-13,15,17-19,22,25,28-51,53,55-64H2,1-5H3,(H,105,115)(H,106,116)(H,107,117)(H,108,123)(H,132,133)(H,134,135)/p-2/b10-8-,16-14-,21-20-,24-23-,27-26-,54-52+/t68-,69+,70-,71-,72+,73+,74+,75+,76+,77+,79+,80+,81+,82+,83+,84-,85-,86+,87+,88+,89+,90+,91-,92+,93+,94+,95-,96+,97-,98+,99-,100-,103-,104-/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCC(=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@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[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](O)CO)O3)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C104H178N4O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-43-45-47-49-51-53-55-78(123)108-68(69(118)54-52-50-48-46-44-42-19-17-15-13-11-9-7-2)64-136-98-87(129)86(128)90(76(62-113)139-98)141-100-89(131)96(147-104(102(134)135)57-71(120)80(106-66(4)116)94(145-104)83(125)73(122)59-110)91(77(63-114)140-100)142-97-81(107-67(5)117)92(84(126)74(60-111)137-97)143-99-88(130)95(85(127)75(61-112)138-99)146-103(101(132)133)56-70(119)79(105-65(3)115)93(144-103)82(124)72(121)58-109/h8,10,14,16,20-21,23-24,26-27,52,54,68-77,79-100,109-114,118-122,124-131H,6-7,9,11-13,15,17-19,22,25,28-51,53,55-64H2,1-5H3,(H,105,115)(H,106,116)(H,107,117)(H,108,123)(H,132,133)(H,134,135)/b10-8-,16-14-,21-20-,24-23-,27-26-,54-52+/t68-,69+,70-,71-,72+,73+,74+,75+,76+,77+,79+,80+,81+,82+,83+,84-,85-,86+,87+,88+,89+,90+,91-,92+,93+,94+,95-,96+,97-,98+,99-,100-,103-,104-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6]/[CH:8]=[CH:10]\[CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][CH2:55][C:78](=[N:108][C@@H:68]([CH2:64][O:136][C@H:98]1[C@H:87]([OH:129])[C@@H:86]([OH:128])[C@H:90]([O:141][C@H:100]2[C@H:89]([OH:131])[C@@H:96]([O:147][C@:104]3([C:102](=[O:134])[OH:135])[CH2:57][C@H:71]([OH:120])[C@@H:80]([N:106]=[C:66]([CH3:4])[OH:116])[C@H:94]([C@@H:83]([C@@H:73]([CH2:59][OH:110])[OH:122])[OH:125])[O:145]3)[C@@H:91]([O:142][C@H:97]3[C@H:81]([N:107]=[C:67]([CH3:5])[OH:117])[C@@H:92]([O:143][C@H:99]4[C@H:88]([OH:130])[C@@H:95]([O:146][C@:103]5([C:101](=[O:132])[OH:133])[CH2:56][C@H:70]([OH:119])[C@@H:79]([N:105]=[C:65]([CH3:3])[OH:115])[C@H:93]([C@@H:82]([C@@H:72]([CH2:58][OH:109])[OH:121])[OH:124])[O:144]5)[C@@H:85]([OH:127])[C@@H:75]([CH2:61][OH:112])[O:138]4)[C@@H:84]([OH:126])[C@@H:74]([CH2:60][OH:111])[O:137]3)[C@@H:77]([CH2:63][OH:114])[O:140]2)[C@@H:76]([CH2:62][OH:113])[O:139]1)[C@@H:69](/[CH:54]=[CH:52]/[CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:118])[OH:123] |
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