| Properties | Image |
|---|
| MNX_ID | MNXM1057581 |
 |
| reference | slm:000750143 |
| formula | C82H140N2O28 |
| global charge | 0 |
| mol weight | 1602.008 |
| InChIKey | FRVNAGZIZWSINW-LVHJKZJISA-N |
| InChI | InChI=1S/C82H140N2O28/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-37-39-41-43-45-47-62(92)84-55(56(91)46-44-42-40-38-36-34-17-15-13-11-9-7-5-2)53-103-79-71(100)68(97)75(60(51-88)107-79)110-81-72(101)69(98)76(61(52-89)108-81)111-82-73(102)77(65(94)58(49-86)105-82)112-78-63(83-54(3)90)66(95)74(59(50-87)106-78)109-80-70(99)67(96)64(93)57(48-85)104-80/h6,8,12,14,18-19,21-22,24-25,27-28,44,46,55-61,63-82,85-89,91,93-102H,4-5,7,9-11,13,15-17,20,23,26,29-43,45,47-53H2,1-3H3,(H,83,90)(H,84,92)/b8-6-,14-12-,19-18-,22-21-,25-24-,28-27-,46-44+/t55-,56+,57+,58+,59+,60+,61+,63+,64-,65-,66+,67-,68+,69+,70+,71+,72+,73+,74-,75+,76-,77-,78-,79+,80+,81-,82+/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=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]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](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=C/CCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C82H140N2O28/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-37-39-41-43-45-47-62(92)84-55(56(91)46-44-42-40-38-36-34-17-15-13-11-9-7-5-2)53-103-79-71(100)68(97)75(60(51-88)107-79)110-81-72(101)69(98)76(61(52-89)108-81)111-82-73(102)77(65(94)58(49-86)105-82)112-78-63(83-54(3)90)66(95)74(59(50-87)106-78)109-80-70(99)67(96)64(93)57(48-85)104-80/h6,8,12,14,18-19,21-22,24-25,27-28,44,46,55-61,63-82,85-89,91,93-102H,4-5,7,9-11,13,15-17,20,23,26,29-43,45,47-53H2,1-3H3,(H,83,90)(H,84,92)/b8-6-,14-12-,19-18-,22-21-,25-24-,28-27-,46-44+/t55-,56+,57+,58+,59+,60+,61+,63+,64-,65-,66+,67-,68+,69+,70+,71+,72+,73+,74-,75+,76-,77-,78-,79+,80+,81-,82+/m0/s1 |
 |
| 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]/[CH:27]=[CH:28]\[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][C:62](=[N:84][C@@H:55]([CH2:53][O:103][C@H:79]1[C@H:71]([OH:100])[C@@H:68]([OH:97])[C@H:75]([O:110][C@H:81]2[C@H:72]([OH:101])[C@@H:69]([OH:98])[C@@H:76]([O:111][C@@H:82]3[C@H:73]([OH:102])[C@@H:77]([O:112][C@H:78]4[C@H:63]([N:83]=[C:54]([CH3:3])[OH:90])[C@@H:66]([OH:95])[C@@H:74]([O:109][C@@H:80]5[C@H:70]([OH:99])[C@@H:67]([OH:96])[C@@H:64]([OH:93])[C@@H:57]([CH2:48][OH:85])[O:104]5)[C@@H:59]([CH2:50][OH:87])[O:106]4)[C@@H:65]([OH:94])[C@@H:58]([CH2:49][OH:86])[O:105]3)[C@@H:61]([CH2:52][OH:89])[O:108]2)[C@@H:60]([CH2:51][OH:88])[O:107]1)[C@@H:56](/[CH:46]=[CH:44]/[CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:91])[OH:92] |
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