| Properties | Image |
|---|
| MNX_ID | MNXM1065726 |
 |
| reference | slm:000758835 |
| formula | C82H144N2O23 |
| global charge | 0 |
| mol weight | 1526.045 |
| InChIKey | VOYBIOQMNBHJKO-WATXJWSLSA-N |
| InChI | InChI=1S/C82H144N2O23/c1-4-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-53-66(91)84-60(61(90)52-50-48-46-44-42-40-38-19-17-15-13-11-9-7-5-2)58-100-80-74(98)71(95)77(64(56-87)103-80)106-82-75(99)72(96)76(65(57-88)104-82)105-79-67(83-59(3)89)78(69(93)63(55-86)101-79)107-81-73(97)70(94)68(92)62(54-85)102-81/h6,8,12,14,18,20,22-23,25-26,28-29,60-65,67-82,85-88,90,92-99H,4-5,7,9-11,13,15-17,19,21,24,27,30-58H2,1-3H3,(H,83,89)(H,84,91)/b8-6-,14-12-,20-18-,23-22-,26-25-,29-28-/t60-,61+,62+,63+,64+,65+,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\CCCCCCCCCCCCCCCCC(=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]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C82H144N2O23/c1-4-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-51-53-66(91)84-60(61(90)52-50-48-46-44-42-40-38-19-17-15-13-11-9-7-5-2)58-100-80-74(98)71(95)77(64(56-87)103-80)106-82-75(99)72(96)76(65(57-88)104-82)105-79-67(83-59(3)89)78(69(93)63(55-86)101-79)107-81-73(97)70(94)68(92)62(54-85)102-81/h6,8,12,14,18,20,22-23,25-26,28-29,60-65,67-82,85-88,90,92-99H,4-5,7,9-11,13,15-17,19,21,24,27,30-58H2,1-3H3,(H,83,89)(H,84,91)/b8-6-,14-12-,20-18-,23-22-,26-25-,29-28-/t60-,61+,62+,63+,64+,65+,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][CH2:4]/[CH:6]=[CH:8]\[CH2:10]/[CH:12]=[CH:14]\[CH2:16]/[CH:18]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27]/[CH:28]=[CH:29]\[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][CH2:51][CH2:53][C:66](=[N:84][C@@H:60]([CH2:58][O:100][C@H:80]1[C@H:74]([OH:98])[C@@H:71]([OH:95])[C@H:77]([O:106][C@H:82]2[C@H:75]([OH:99])[C@@H:72]([OH:96])[C@@H:76]([O:105][C@H:79]3[C@H:67]([N:83]=[C:59]([CH3:3])[OH:89])[C@@H:78]([O:107][C@H:81]4[C@H:73]([OH:97])[C@@H:70]([OH:94])[C@@H:68]([OH:92])[C@@H:62]([CH2:54][OH:85])[O:102]4)[C@@H:69]([OH:93])[C@@H:63]([CH2:55][OH:86])[O:101]3)[C@@H:65]([CH2:57][OH:88])[O:104]2)[C@@H:64]([CH2:56][OH:87])[O:103]1)[C@@H:61]([CH2:52][CH2:50][CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:90])[OH:91] |
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