| Properties | Image |
|---|
| MNX_ID | MNXM1065339 |
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| reference | slm:000758003 |
| formula | C57H107NO22 |
| global charge | 0 |
| mol weight | 1158.468 |
| InChIKey | LOAXRJSYZAPTQI-VHAWHWRTSA-N |
| InChI | InChI=1S/C57H107NO22/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-37(62)36(58-41(63)30-28-26-24-22-20-17-15-13-11-9-7-5-2)34-73-54-50(72)47(69)51(40(33-61)77-54)78-57-53(80-55-48(70)45(67)42(64)35(3)74-55)52(44(66)39(32-60)76-57)79-56-49(71)46(68)43(65)38(31-59)75-56/h35-40,42-57,59-62,64-72H,4-34H2,1-3H3,(H,58,63)/t35-,36-,37+,38+,39+,40+,42+,43-,44-,45+,46-,47+,48-,49+,50+,51+,52-,53+,54+,55-,56+,57-/m0/s1 |
| SMILES | CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C57H107NO22/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-37(62)36(58-41(63)30-28-26-24-22-20-17-15-13-11-9-7-5-2)34-73-54-50(72)47(69)51(40(33-61)77-54)78-57-53(80-55-48(70)45(67)42(64)35(3)74-55)52(44(66)39(32-60)76-57)79-56-49(71)46(68)43(65)38(31-59)75-56/h35-40,42-57,59-62,64-72H,4-34H2,1-3H3,(H,58,63)/t35-,36-,37+,38+,39+,40+,42+,43-,44-,45+,46-,47+,48-,49+,50+,51+,52-,53+,54+,55-,56+,57-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][C@H:37]([C@H:36]([CH2:34][O:73][C@H:54]1[C@H:50]([OH:72])[C@@H:47]([OH:69])[C@H:51]([O:78][C@H:57]2[C@H:53]([O:80][C@H:55]3[C@@H:48]([OH:70])[C@H:45]([OH:67])[C@H:42]([OH:64])[C@H:35]([CH3:3])[O:74]3)[C@@H:52]([O:79][C@@H:56]3[C@H:49]([OH:71])[C@@H:46]([OH:68])[C@@H:43]([OH:65])[C@@H:38]([CH2:31][OH:59])[O:75]3)[C@@H:44]([OH:66])[C@@H:39]([CH2:32][OH:60])[O:76]2)[C@@H:40]([CH2:33][OH:61])[O:77]1)[N:58]=[C:41]([CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:63])[OH:62] |
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