| Properties | Image |
|---|
| MNX_ID | MNXM1061718 |
 |
| reference | slm:000754330 |
| formula | C70H121N2O27S |
| global charge | -1 |
| mol weight | 1454.792 |
| InChIKey | LLBKRTPVQWDDNZ-DUCFGVDNSA-M |
| InChI | InChI=1S/C70H122N2O27S/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-53(79)72-47(55(80)48(78)39-37-35-33-31-29-17-15-13-11-9-7-5-2)45-91-68-60(85)58(83)63(51(43-75)94-68)96-69-61(86)59(84)64(52(44-76)95-69)97-70-62(87)66(57(82)50(42-74)93-70)98-67-54(71-46(3)77)65(99-100(88,89)90)56(81)49(41-73)92-67/h12,14,18-19,21-22,24-25,27-28,47-52,54-70,73-76,78,80-87H,4-11,13,15-17,20,23,26,29-45H2,1-3H3,(H,71,77)(H,72,79)(H,88,89,90)/p-1/b14-12-,19-18-,22-21-,25-24-,28-27-/t47-,48+,49+,50+,51+,52+,54+,55-,56-,57-,58+,59+,60+,61+,62+,63+,64-,65+,66-,67-,68+,69-,70+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=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](OS(=O)(=O)[O-])[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/C70H122N2O27S/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-53(79)72-47(55(80)48(78)39-37-35-33-31-29-17-15-13-11-9-7-5-2)45-91-68-60(85)58(83)63(51(43-75)94-68)96-69-61(86)59(84)64(52(44-76)95-69)97-70-62(87)66(57(82)50(42-74)93-70)98-67-54(71-46(3)77)65(99-100(88,89)90)56(81)49(41-73)92-67/h12,14,18-19,21-22,24-25,27-28,47-52,54-70,73-76,78,80-87H,4-11,13,15-17,20,23,26,29-45H2,1-3H3,(H,71,77)(H,72,79)(H,88,89,90)/b14-12-,19-18-,22-21-,25-24-,28-27-/t47-,48+,49+,50+,51+,52+,54+,55-,56-,57-,58+,59+,60+,61+,62+,63+,64-,65+,66-,67-,68+,69-,70+/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]/[CH:27]=[CH:28]\[CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][C:53](=[N:72][C@@H:47]([CH2:45][O:91][C@H:68]1[C@H:60]([OH:85])[C@@H:58]([OH:83])[C@H:63]([O:96][C@H:69]2[C@H:61]([OH:86])[C@@H:59]([OH:84])[C@@H:64]([O:97][C@@H:70]3[C@H:62]([OH:87])[C@@H:66]([O:98][C@H:67]4[C@H:54]([N:71]=[C:46]([CH3:3])[OH:77])[C@@H:65]([O:99][S:100]([OH:88])(=[O:89])=[O:90])[C@@H:56]([OH:81])[C@@H:49]([CH2:41][OH:73])[O:92]4)[C@@H:57]([OH:82])[C@@H:50]([CH2:42][OH:74])[O:93]3)[C@@H:52]([CH2:44][OH:76])[O:95]2)[C@@H:51]([CH2:43][OH:75])[O:94]1)[C@@H:55]([C@@H:48]([CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:78])[OH:80])[OH:79] |
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