| Properties | Image |
|---|
| MNX_ID | MNXM1061687 |
 |
| reference | slm:000754299 |
| formula | C76H133N2O27S |
| global charge | -1 |
| mol weight | 1538.954 |
| InChIKey | KRAWDYMYABXIHV-GKCCDJDWSA-M |
| InChI | InChI=1S/C76H134N2O27S/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-59(85)78-53(61(86)54(84)45-43-41-39-37-35-17-15-13-11-9-7-5-2)51-97-74-66(91)64(89)69(57(49-81)100-74)102-75-67(92)65(90)70(58(50-82)101-75)103-76-68(93)72(63(88)56(48-80)99-76)104-73-60(77-52(3)83)71(105-106(94,95)96)62(87)55(47-79)98-73/h6,8,12,14,18-19,21-22,24-25,53-58,60-76,79-82,84,86-93H,4-5,7,9-11,13,15-17,20,23,26-51H2,1-3H3,(H,77,83)(H,78,85)(H,94,95,96)/p-1/b8-6-,14-12-,19-18-,22-21-,25-24-/t53-,54+,55+,56+,57+,58+,60+,61-,62-,63-,64+,65+,66+,67+,68+,69+,70-,71+,72-,73-,74+,75-,76+/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCC(=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/C76H134N2O27S/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-59(85)78-53(61(86)54(84)45-43-41-39-37-35-17-15-13-11-9-7-5-2)51-97-74-66(91)64(89)69(57(49-81)100-74)102-75-67(92)65(90)70(58(50-82)101-75)103-76-68(93)72(63(88)56(48-80)99-76)104-73-60(77-52(3)83)71(105-106(94,95)96)62(87)55(47-79)98-73/h6,8,12,14,18-19,21-22,24-25,53-58,60-76,79-82,84,86-93H,4-5,7,9-11,13,15-17,20,23,26-51H2,1-3H3,(H,77,83)(H,78,85)(H,94,95,96)/b8-6-,14-12-,19-18-,22-21-,25-24-/t53-,54+,55+,56+,57+,58+,60+,61-,62-,63-,64+,65+,66+,67+,68+,69+,70-,71+,72-,73-,74+,75-,76+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4]/[CH:6]=[CH: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][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][C:59](=[N:78][C@@H:53]([CH2:51][O:97][C@H:74]1[C@H:66]([OH:91])[C@@H:64]([OH:89])[C@H:69]([O:102][C@H:75]2[C@H:67]([OH:92])[C@@H:65]([OH:90])[C@@H:70]([O:103][C@@H:76]3[C@H:68]([OH:93])[C@@H:72]([O:104][C@H:73]4[C@H:60]([N:77]=[C:52]([CH3:3])[OH:83])[C@@H:71]([O:105][S:106]([OH:94])(=[O:95])=[O:96])[C@@H:62]([OH:87])[C@@H:55]([CH2:47][OH:79])[O:98]4)[C@@H:63]([OH:88])[C@@H:56]([CH2:48][OH:80])[O:99]3)[C@@H:58]([CH2:50][OH:82])[O:101]2)[C@@H:57]([CH2:49][OH:81])[O:100]1)[C@@H:61]([C@@H:54]([CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:84])[OH:86])[OH:85] |
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