| Properties | Image |
|---|
| MNX_ID | MNXM1058691 |
 |
| reference | slm:000751255 |
| formula | C82H143N3O38 |
| global charge | 0 |
| mol weight | 1779.029 |
| InChIKey | MSNNYBWMQAAVTK-RPEUTIOQSA-N |
| InChI | InChI=1S/C82H143N3O38/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-53(95)85-45(57(97)46(94)33-31-29-27-25-23-19-17-15-13-11-9-7-2)41-110-78-67(107)64(104)70(51(39-90)116-78)118-80-68(108)65(105)71(52(40-91)117-80)119-81-69(109)73(60(100)49(37-88)114-81)121-77-55(84-44(5)93)72(59(99)48(36-87)113-77)120-82-75(123-79-66(106)63(103)56(96)42(3)111-79)74(61(101)50(38-89)115-82)122-76-54(83-43(4)92)62(102)58(98)47(35-86)112-76/h14,16,20-21,24,26,42,45-52,54-82,86-91,94,96-109H,6-13,15,17-19,22-23,25,27-41H2,1-5H3,(H,83,92)(H,84,93)(H,85,95)/b16-14-,21-20-,26-24-/t42-,45-,46+,47+,48+,49+,50+,51+,52+,54+,55+,56+,57-,58-,59-,60-,61-,62+,63+,64+,65+,66-,67+,68+,69+,70+,71-,72+,73-,74-,75+,76+,77-,78+,79-,80-,81+,82-/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=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@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6NC(C)=O)[C@H]5O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[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)[C@H](O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C82H143N3O38/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-53(95)85-45(57(97)46(94)33-31-29-27-25-23-19-17-15-13-11-9-7-2)41-110-78-67(107)64(104)70(51(39-90)116-78)118-80-68(108)65(105)71(52(40-91)117-80)119-81-69(109)73(60(100)49(37-88)114-81)121-77-55(84-44(5)93)72(59(99)48(36-87)113-77)120-82-75(123-79-66(106)63(103)56(96)42(3)111-79)74(61(101)50(38-89)115-82)122-76-54(83-43(4)92)62(102)58(98)47(35-86)112-76/h14,16,20-21,24,26,42,45-52,54-82,86-91,94,96-109H,6-13,15,17-19,22-23,25,27-41H2,1-5H3,(H,83,92)(H,84,93)(H,85,95)/b16-14-,21-20-,26-24-/t42-,45-,46+,47+,48+,49+,50+,51+,52+,54+,55+,56+,57-,58-,59-,60-,61-,62+,63+,64+,65+,66-,67+,68+,69+,70+,71-,72+,73-,74-,75+,76+,77-,78+,79-,80-,81+,82-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:21]\[CH2:22]/[CH:24]=[CH:26]\[CH2:28][CH2:30][CH2:32][CH2:34][C:53](=[N:85][C@@H:45]([CH2:41][O:110][C@H:78]1[C@H:67]([OH:107])[C@@H:64]([OH:104])[C@H:70]([O:118][C@H:80]2[C@H:68]([OH:108])[C@@H:65]([OH:105])[C@@H:71]([O:119][C@@H:81]3[C@H:69]([OH:109])[C@@H:73]([O:121][C@H:77]4[C@H:55]([N:84]=[C:44]([CH3:5])[OH:93])[C@@H:72]([O:120][C@H:82]5[C@H:75]([O:123][C@H:79]6[C@@H:66]([OH:106])[C@H:63]([OH:103])[C@H:56]([OH:96])[C@H:42]([CH3:3])[O:111]6)[C@@H:74]([O:122][C@@H:76]6[C@H:54]([N:83]=[C:43]([CH3:4])[OH:92])[C@@H:62]([OH:102])[C@@H:58]([OH:98])[C@@H:47]([CH2:35][OH:86])[O:112]6)[C@@H:61]([OH:101])[C@@H:50]([CH2:38][OH:89])[O:115]5)[C@@H:59]([OH:99])[C@@H:48]([CH2:36][OH:87])[O:113]4)[C@@H:60]([OH:100])[C@@H:49]([CH2:37][OH:88])[O:114]3)[C@@H:52]([CH2:40][OH:91])[O:117]2)[C@@H:51]([CH2:39][OH:90])[O:116]1)[C@@H:57]([C@@H:46]([CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:94])[OH:97])[OH:95] |
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