| Properties | Image |
|---|
| MNX_ID | MNXM1057519 |
 |
| reference | slm:000750075 |
| formula | C84H150N2O28 |
| global charge | 0 |
| mol weight | 1636.11 |
| InChIKey | QCFNNOJSMMVBND-DDOHDTHASA-N |
| InChI | InChI=1S/C84H150N2O28/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-39-41-43-45-47-49-64(94)86-57(58(93)48-46-44-42-40-38-36-17-15-13-11-9-7-5-2)55-105-81-73(102)70(99)77(62(53-90)109-81)112-83-74(103)71(100)78(63(54-91)110-83)113-84-75(104)79(67(96)60(51-88)107-84)114-80-65(85-56(3)92)68(97)76(61(52-89)108-80)111-82-72(101)69(98)66(95)59(50-87)106-82/h12,14,18-19,21-22,24-25,57-63,65-84,87-91,93,95-104H,4-11,13,15-17,20,23,26-55H2,1-3H3,(H,85,92)(H,86,94)/b14-12-,19-18-,22-21-,25-24-/t57-,58+,59+,60+,61+,62+,63+,65+,66-,67-,68+,69-,70+,71+,72+,73+,74+,75+,76-,77+,78-,79-,80-,81+,82+,83-,84+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCC(=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)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C84H150N2O28/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-39-41-43-45-47-49-64(94)86-57(58(93)48-46-44-42-40-38-36-17-15-13-11-9-7-5-2)55-105-81-73(102)70(99)77(62(53-90)109-81)112-83-74(103)71(100)78(63(54-91)110-83)113-84-75(104)79(67(96)60(51-88)107-84)114-80-65(85-56(3)92)68(97)76(61(52-89)108-80)111-82-72(101)69(98)66(95)59(50-87)106-82/h12,14,18-19,21-22,24-25,57-63,65-84,87-91,93,95-104H,4-11,13,15-17,20,23,26-55H2,1-3H3,(H,85,92)(H,86,94)/b14-12-,19-18-,22-21-,25-24-/t57-,58+,59+,60+,61+,62+,63+,65+,66-,67-,68+,69-,70+,71+,72+,73+,74+,75+,76-,77+,78-,79-,80-,81+,82+,83-,84+/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][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][C:64](=[N:86][C@@H:57]([CH2:55][O:105][C@H:81]1[C@H:73]([OH:102])[C@@H:70]([OH:99])[C@H:77]([O:112][C@H:83]2[C@H:74]([OH:103])[C@@H:71]([OH:100])[C@@H:78]([O:113][C@@H:84]3[C@H:75]([OH:104])[C@@H:79]([O:114][C@H:80]4[C@H:65]([N:85]=[C:56]([CH3:3])[OH:92])[C@@H:68]([OH:97])[C@@H:76]([O:111][C@@H:82]5[C@H:72]([OH:101])[C@@H:69]([OH:98])[C@@H:66]([OH:95])[C@@H:59]([CH2:50][OH:87])[O:106]5)[C@@H:61]([CH2:52][OH:89])[O:108]4)[C@@H:67]([OH:96])[C@@H:60]([CH2:51][OH:88])[O:107]3)[C@@H:63]([CH2:54][OH:91])[O:110]2)[C@@H:62]([CH2:53][OH:90])[O:109]1)[C@@H:58]([CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:93])[OH:94] |
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