| Properties | Image |
|---|
| MNX_ID | MNXM1059850 |
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| reference | slm:000752436 |
| formula | C76H129NO28 |
| global charge | 0 |
| mol weight | 1504.847 |
| InChIKey | CFXDGCJTFXVDRD-GNEPWOPGSA-N |
| InChI | InChI=1S/C76H129NO28/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-56(84)77-49(50(83)41-39-37-35-33-31-29-16-14-12-10-8-6-4-2)48-96-72-64(92)61(89)68(54(46-81)100-72)102-74-65(93)62(90)69(55(47-82)101-74)103-75-66(94)71(59(87)52(44-79)98-75)105-76-67(95)70(58(86)53(45-80)99-76)104-73-63(91)60(88)57(85)51(43-78)97-73/h5,7,11,13,17-18,20-21,23-24,26-27,39,41,49-55,57-76,78-83,85-95H,3-4,6,8-10,12,14-16,19,22,25,28-38,40,42-48H2,1-2H3,(H,77,84)/b7-5-,13-11-,18-17-,21-20-,24-23-,27-26-,41-39+/t49-,50+,51+,52+,53+,54+,55+,57-,58-,59-,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\C/C=C\CCCCCCCCC(=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]5O)[C@H]4O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C76H129NO28/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-56(84)77-49(50(83)41-39-37-35-33-31-29-16-14-12-10-8-6-4-2)48-96-72-64(92)61(89)68(54(46-81)100-72)102-74-65(93)62(90)69(55(47-82)101-74)103-75-66(94)71(59(87)52(44-79)98-75)105-76-67(95)70(58(86)53(45-80)99-76)104-73-63(91)60(88)57(85)51(43-78)97-73/h5,7,11,13,17-18,20-21,23-24,26-27,39,41,49-55,57-76,78-83,85-95H,3-4,6,8-10,12,14-16,19,22,25,28-38,40,42-48H2,1-2H3,(H,77,84)/b7-5-,13-11-,18-17-,21-20-,24-23-,27-26-,41-39+/t49-,50+,51+,52+,53+,54+,55+,57-,58-,59-,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][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][C:56](=[N:77][C@@H:49]([CH2:48][O:96][C@H:72]1[C@H:64]([OH:92])[C@@H:61]([OH:89])[C@H:68]([O:102][C@H:74]2[C@H:65]([OH:93])[C@@H:62]([OH:90])[C@@H:69]([O:103][C@@H:75]3[C@H:66]([OH:94])[C@@H:71]([O:105][C@@H:76]4[C@H:67]([OH:95])[C@@H:70]([O:104][C@@H:73]5[C@H:63]([OH:91])[C@@H:60]([OH:88])[C@@H:57]([OH:85])[C@@H:51]([CH2:43][OH:78])[O:97]5)[C@@H:58]([OH:86])[C@@H:53]([CH2:45][OH:80])[O:99]4)[C@@H:59]([OH:87])[C@@H:52]([CH2:44][OH:79])[O:98]3)[C@@H:55]([CH2:47][OH:82])[O:101]2)[C@@H:54]([CH2:46][OH:81])[O:100]1)[C@@H:50](/[CH:41]=[CH:39]/[CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:83])[OH:84] |
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