| Properties | Image |
|---|
| MNX_ID | MNXM522742 |
 |
| reference | slm:000486165 |
| formula | C81H140N4O39 |
| global charge | -2 |
| mol weight | 1794 |
| InChIKey | KZFZZCHOMVRRDY-ALAFUNIQSA-L |
| InChI | InChI=1S/C81H142N4O39/c1-7-8-9-10-11-12-13-14-15-18-21-24-27-30-46(94)45(85-55(99)31-28-25-22-19-16-17-20-23-26-29-41(2)3)39-113-75-65(106)63(104)69(52(37-89)116-75)120-76-66(107)64(105)68(53(38-90)117-76)119-74-58(84-44(6)93)70(62(103)54(118-74)40-114-80(78(109)110)32-47(95)56(82-42(4)91)71(122-80)59(100)49(97)34-86)121-77-67(108)73(61(102)51(36-88)115-77)124-81(79(111)112)33-48(96)57(83-43(5)92)72(123-81)60(101)50(98)35-87/h27,30,41,45-54,56-77,86-90,94-98,100-108H,7-26,28-29,31-40H2,1-6H3,(H,82,91)(H,83,92)(H,84,93)(H,85,99)(H,109,110)(H,111,112)/p-2/b30-27+/t45-,46+,47-,48-,49+,50+,51+,52+,53+,54+,56+,57+,58+,59+,60+,61-,62-,63+,64+,65+,66+,67+,68-,69+,70+,71+,72+,73-,74-,75+,76-,77-,80+,81-/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@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[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@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C81H142N4O39/c1-7-8-9-10-11-12-13-14-15-18-21-24-27-30-46(94)45(85-55(99)31-28-25-22-19-16-17-20-23-26-29-41(2)3)39-113-75-65(106)63(104)69(52(37-89)116-75)120-76-66(107)64(105)68(53(38-90)117-76)119-74-58(84-44(6)93)70(62(103)54(118-74)40-114-80(78(109)110)32-47(95)56(82-42(4)91)71(122-80)59(100)49(97)34-86)121-77-67(108)73(61(102)51(36-88)115-77)124-81(79(111)112)33-48(96)57(83-43(5)92)72(123-81)60(101)50(98)35-87/h27,30,41,45-54,56-77,86-90,94-98,100-108H,7-26,28-29,31-40H2,1-6H3,(H,82,91)(H,83,92)(H,84,93)(H,85,99)(H,109,110)(H,111,112)/b30-27+/t45-,46+,47-,48-,49+,50+,51+,52+,53+,54+,56+,57+,58+,59+,60+,61-,62-,63+,64+,65+,66+,67+,68-,69+,70+,71+,72+,73-,74-,75+,76-,77-,80+,81-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:18][CH2:21][CH2:24]/[CH:27]=[CH:30]/[C@H:46]([C@H:45]([CH2:39][O:113][C@H:75]1[C@H:65]([OH:106])[C@@H:63]([OH:104])[C@H:69]([O:120][C@H:76]2[C@H:66]([OH:107])[C@@H:64]([OH:105])[C@@H:68]([O:119][C@H:74]3[C@H:58]([N:84]=[C:44]([CH3:6])[OH:93])[C@@H:70]([O:121][C@H:77]4[C@H:67]([OH:108])[C@@H:73]([O:124][C@:81]5([C:79](=[O:111])[OH:112])[CH2:33][C@H:48]([OH:96])[C@@H:57]([N:83]=[C:43]([CH3:5])[OH:92])[C@H:72]([C@@H:60]([C@@H:50]([CH2:35][OH:87])[OH:98])[OH:101])[O:123]5)[C@@H:61]([OH:102])[C@@H:51]([CH2:36][OH:88])[O:115]4)[C@@H:62]([OH:103])[C@@H:54]([CH2:40][O:114][C@:80]4([C:78](=[O:109])[OH:110])[CH2:32][C@H:47]([OH:95])[C@@H:56]([N:82]=[C:42]([CH3:4])[OH:91])[C@H:71]([C@@H:59]([C@@H:49]([CH2:34][OH:86])[OH:97])[OH:100])[O:122]4)[O:118]3)[C@@H:53]([CH2:38][OH:90])[O:117]2)[C@@H:52]([CH2:37][OH:89])[O:116]1)[N:85]=[C:55]([CH2:31][CH2:28][CH2:25][CH2:22][CH2:19][CH2:16][CH2:17][CH2:20][CH2:23][CH2:26][CH2:29][CH:41]([CH3:2])[CH3:3])[OH:99])[OH:94] |
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