| Properties | Image |
|---|
| MNX_ID | MNXM1062999 |
 |
| reference | slm:000755635 |
| formula | C42H79NO18 |
| global charge | 0 |
| mol weight | 886.083 |
| InChIKey | BPODUXLNDJRIKN-MHEBJVHHSA-N |
| InChI | InChI=1S/C42H79NO18/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-19-26(47)25(43-30(48)20-17-6-4-2)24-56-40-36(54)34(52)38(29(23-46)59-40)60-42-37(55)39(32(50)28(22-45)58-42)61-41-35(53)33(51)31(49)27(21-44)57-41/h25-29,31-42,44-47,49-55H,3-24H2,1-2H3,(H,43,48)/t25-,26+,27+,28+,29+,31-,32-,33-,34+,35+,36+,37+,38+,39-,40+,41+,42-/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](O)[C@H]1O)NC(=O)CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C42H79NO18/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-19-26(47)25(43-30(48)20-17-6-4-2)24-56-40-36(54)34(52)38(29(23-46)59-40)60-42-37(55)39(32(50)28(22-45)58-42)61-41-35(53)33(51)31(49)27(21-44)57-41/h25-29,31-42,44-47,49-55H,3-24H2,1-2H3,(H,43,48)/t25-,26+,27+,28+,29+,31-,32-,33-,34+,35+,36+,37+,38+,39-,40+,41+,42-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:18][CH2:19][C@H:26]([C@H:25]([CH2:24][O:56][C@H:40]1[C@H:36]([OH:54])[C@@H:34]([OH:52])[C@H:38]([O:60][C@H:42]2[C@H:37]([OH:55])[C@@H:39]([O:61][C@@H:41]3[C@H:35]([OH:53])[C@@H:33]([OH:51])[C@@H:31]([OH:49])[C@@H:27]([CH2:21][OH:44])[O:57]3)[C@@H:32]([OH:50])[C@@H:28]([CH2:22][OH:45])[O:58]2)[C@@H:29]([CH2:23][OH:46])[O:59]1)[N:43]=[C:30]([CH2:20][CH2:17][CH2:6][CH2:4][CH3:2])[OH:48])[OH:47] |
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