| Properties | Image |
|---|
| MNX_ID | MNXM1059754 |
 |
| reference | slm:000752334 |
| formula | C66H117NO28 |
| global charge | 0 |
| mol weight | 1372.641 |
| InChIKey | RCZOOFIVJQTTLU-NOFANNTKSA-N |
| InChI | InChI=1S/C66H117NO28/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-46(74)67-39(40(73)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)38-86-62-54(82)51(79)58(44(36-71)90-62)92-64-55(83)52(80)59(45(37-72)91-64)93-65-56(84)61(49(77)42(34-69)88-65)95-66-57(85)60(48(76)43(35-70)89-66)94-63-53(81)50(78)47(75)41(33-68)87-63/h5,7,11,13,17-18,39-45,47-66,68-73,75-85H,3-4,6,8-10,12,14-16,19-38H2,1-2H3,(H,67,74)/b7-5-,13-11-,18-17-/t39-,40+,41+,42+,43+,44+,45+,47-,48-,49-,50-,51+,52+,53+,54+,55+,56+,57+,58+,59-,60-,61-,62+,63+,64-,65+,66+/m0/s1 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=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)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C66H117NO28/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-46(74)67-39(40(73)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)38-86-62-54(82)51(79)58(44(36-71)90-62)92-64-55(83)52(80)59(45(37-72)91-64)93-65-56(84)61(49(77)42(34-69)88-65)95-66-57(85)60(48(76)43(35-70)89-66)94-63-53(81)50(78)47(75)41(33-68)87-63/h5,7,11,13,17-18,39-45,47-66,68-73,75-85H,3-4,6,8-10,12,14-16,19-38H2,1-2H3,(H,67,74)/b7-5-,13-11-,18-17-/t39-,40+,41+,42+,43+,44+,45+,47-,48-,49-,50-,51+,52+,53+,54+,55+,56+,57+,58+,59-,60-,61-,62+,63+,64-,65+,66+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][C:46](=[N:67][C@@H:39]([CH2:38][O:86][C@H:62]1[C@H:54]([OH:82])[C@@H:51]([OH:79])[C@H:58]([O:92][C@H:64]2[C@H:55]([OH:83])[C@@H:52]([OH:80])[C@@H:59]([O:93][C@@H:65]3[C@H:56]([OH:84])[C@@H:61]([O:95][C@@H:66]4[C@H:57]([OH:85])[C@@H:60]([O:94][C@@H:63]5[C@H:53]([OH:81])[C@@H:50]([OH:78])[C@@H:47]([OH:75])[C@@H:41]([CH2:33][OH:68])[O:87]5)[C@@H:48]([OH:76])[C@@H:43]([CH2:35][OH:70])[O:89]4)[C@@H:49]([OH:77])[C@@H:42]([CH2:34][OH:69])[O:88]3)[C@@H:45]([CH2:37][OH:72])[O:91]2)[C@@H:44]([CH2:36][OH:71])[O:90]1)[C@@H:40]([CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:73])[OH:74] |
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