| Properties | Image |
|---|
| MNX_ID | MNXM1057541 |
 |
| reference | slm:000750097 |
| formula | C63H116N2O28 |
| global charge | 0 |
| mol weight | 1349.607 |
| InChIKey | SSRKFSGCXXLOLC-ORWOTWNUSA-N |
| InChI | InChI=1S/C63H116N2O28/c1-4-6-8-10-12-14-16-17-18-19-21-23-25-27-37(72)36(65-43(73)28-26-24-22-20-15-13-11-9-7-5-2)34-84-60-52(81)49(78)56(41(32-69)88-60)91-62-53(82)50(79)57(42(33-70)89-62)92-63-54(83)58(46(75)39(30-67)86-63)93-59-44(64-35(3)71)47(76)55(40(31-68)87-59)90-61-51(80)48(77)45(74)38(29-66)85-61/h36-42,44-63,66-70,72,74-83H,4-34H2,1-3H3,(H,64,71)(H,65,73)/t36-,37+,38+,39+,40+,41+,42+,44+,45-,46-,47+,48-,49+,50+,51+,52+,53+,54+,55-,56+,57-,58-,59-,60+,61+,62-,63+/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]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)NC(=O)CCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C63H116N2O28/c1-4-6-8-10-12-14-16-17-18-19-21-23-25-27-37(72)36(65-43(73)28-26-24-22-20-15-13-11-9-7-5-2)34-84-60-52(81)49(78)56(41(32-69)88-60)91-62-53(82)50(79)57(42(33-70)89-62)92-63-54(83)58(46(75)39(30-67)86-63)93-59-44(64-35(3)71)47(76)55(40(31-68)87-59)90-61-51(80)48(77)45(74)38(29-66)85-61/h36-42,44-63,66-70,72,74-83H,4-34H2,1-3H3,(H,64,71)(H,65,73)/t36-,37+,38+,39+,40+,41+,42+,44+,45-,46-,47+,48-,49+,50+,51+,52+,53+,54+,55-,56+,57-,58-,59-,60+,61+,62-,63+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:17][CH2:18][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][C@H:37]([C@H:36]([CH2:34][O:84][C@H:60]1[C@H:52]([OH:81])[C@@H:49]([OH:78])[C@H:56]([O:91][C@H:62]2[C@H:53]([OH:82])[C@@H:50]([OH:79])[C@@H:57]([O:92][C@@H:63]3[C@H:54]([OH:83])[C@@H:58]([O:93][C@H:59]4[C@H:44]([N:64]=[C:35]([CH3:3])[OH:71])[C@@H:47]([OH:76])[C@@H:55]([O:90][C@@H:61]5[C@H:51]([OH:80])[C@@H:48]([OH:77])[C@@H:45]([OH:74])[C@@H:38]([CH2:29][OH:66])[O:85]5)[C@@H:40]([CH2:31][OH:68])[O:87]4)[C@@H:46]([OH:75])[C@@H:39]([CH2:30][OH:67])[O:86]3)[C@@H:42]([CH2:33][OH:70])[O:89]2)[C@@H:41]([CH2:32][OH:69])[O:88]1)[N:65]=[C:43]([CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:73])[OH:72] |
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