| Properties | Image |
|---|
| MNX_ID | MNXM1060309 |
 |
| reference | slm:000752905 |
| formula | C67H125NO27 |
| global charge | 0 |
| mol weight | 1376.717 |
| InChIKey | IBTWJMVTCMLUMI-PFWPMQMLSA-N |
| InChI | InChI=1S/C67H125NO27/c1-4-6-8-10-12-14-16-18-19-20-22-24-26-28-30-32-34-47(74)68-41(42(73)33-31-29-27-25-23-21-17-15-13-11-9-7-5-2)39-86-63-56(83)53(80)59(45(37-71)90-63)92-65-57(84)54(81)60(46(38-72)91-65)93-66-58(85)61(50(77)44(36-70)88-66)94-67-62(52(79)49(76)43(35-69)89-67)95-64-55(82)51(78)48(75)40(3)87-64/h40-46,48-67,69-73,75-85H,4-39H2,1-3H3,(H,68,74)/t40-,41-,42+,43+,44+,45+,46+,48+,49-,50-,51+,52-,53+,54+,55-,56+,57+,58+,59+,60-,61-,62+,63+,64-,65-,66+,67+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCC(=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]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[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/C67H125NO27/c1-4-6-8-10-12-14-16-18-19-20-22-24-26-28-30-32-34-47(74)68-41(42(73)33-31-29-27-25-23-21-17-15-13-11-9-7-5-2)39-86-63-56(83)53(80)59(45(37-71)90-63)92-65-57(84)54(81)60(46(38-72)91-65)93-66-58(85)61(50(77)44(36-70)88-66)94-67-62(52(79)49(76)43(35-69)89-67)95-64-55(82)51(78)48(75)40(3)87-64/h40-46,48-67,69-73,75-85H,4-39H2,1-3H3,(H,68,74)/t40-,41-,42+,43+,44+,45+,46+,48+,49-,50-,51+,52-,53+,54+,55-,56+,57+,58+,59+,60-,61-,62+,63+,64-,65-,66+,67+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:19][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][C:47](=[N:68][C@@H:41]([CH2:39][O:86][C@H:63]1[C@H:56]([OH:83])[C@@H:53]([OH:80])[C@H:59]([O:92][C@H:65]2[C@H:57]([OH:84])[C@@H:54]([OH:81])[C@@H:60]([O:93][C@@H:66]3[C@H:58]([OH:85])[C@@H:61]([O:94][C@@H:67]4[C@H:62]([O:95][C@H:64]5[C@@H:55]([OH:82])[C@H:51]([OH:78])[C@H:48]([OH:75])[C@H:40]([CH3:3])[O:87]5)[C@@H:52]([OH:79])[C@@H:49]([OH:76])[C@@H:43]([CH2:35][OH:69])[O:89]4)[C@@H:50]([OH:77])[C@@H:44]([CH2:36][OH:70])[O:88]3)[C@@H:46]([CH2:38][OH:72])[O:91]2)[C@@H:45]([CH2:37][OH:71])[O:90]1)[C@@H:42]([CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:73])[OH:74] |
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