| Properties | Image |
|---|
| MNX_ID | MNXM1059940 |
 |
| reference | slm:000752528 |
| formula | C68H123NO29 |
| global charge | 0 |
| mol weight | 1418.71 |
| InChIKey | QCYZFUIWEHBBMO-AEHCZIGESA-N |
| InChI | InChI=1S/C68H123NO29/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-47(76)69-40(48(77)41(75)32-30-28-26-24-22-16-14-12-10-8-6-4-2)39-89-64-56(85)53(82)60(45(37-73)93-64)95-66-57(86)54(83)61(46(38-74)94-66)96-67-58(87)63(51(80)43(35-71)91-67)98-68-59(88)62(50(79)44(36-72)92-68)97-65-55(84)52(81)49(78)42(34-70)90-65/h11,13,17-18,40-46,48-68,70-75,77-88H,3-10,12,14-16,19-39H2,1-2H3,(H,69,76)/b13-11-,18-17-/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+,68+/m0/s1 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCC(=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@H](O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C68H123NO29/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-47(76)69-40(48(77)41(75)32-30-28-26-24-22-16-14-12-10-8-6-4-2)39-89-64-56(85)53(82)60(45(37-73)93-64)95-66-57(86)54(83)61(46(38-74)94-66)96-67-58(87)63(51(80)43(35-71)91-67)98-68-59(88)62(50(79)44(36-72)92-68)97-65-55(84)52(81)49(78)42(34-70)90-65/h11,13,17-18,40-46,48-68,70-75,77-88H,3-10,12,14-16,19-39H2,1-2H3,(H,69,76)/b13-11-,18-17-/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+,68+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C:47](=[N:69][C@@H:40]([CH2:39][O:89][C@H:64]1[C@H:56]([OH:85])[C@@H:53]([OH:82])[C@H:60]([O:95][C@H:66]2[C@H:57]([OH:86])[C@@H:54]([OH:83])[C@@H:61]([O:96][C@@H:67]3[C@H:58]([OH:87])[C@@H:63]([O:98][C@@H:68]4[C@H:59]([OH:88])[C@@H:62]([O:97][C@@H:65]5[C@H:55]([OH:84])[C@@H:52]([OH:81])[C@@H:49]([OH:78])[C@@H:42]([CH2:34][OH:70])[O:90]5)[C@@H:50]([OH:79])[C@@H:44]([CH2:36][OH:72])[O:92]4)[C@@H:51]([OH:80])[C@@H:43]([CH2:35][OH:71])[O:91]3)[C@@H:46]([CH2:38][OH:74])[O:94]2)[C@@H:45]([CH2:37][OH:73])[O:93]1)[C@@H:48]([C@@H:41]([CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:75])[OH:77])[OH:76] |
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