| Properties | Image |
|---|
| MNX_ID | MNXM1581679 |
 |
| reference | vmhM:MGlcn154_rl
vmhM:MGlcn154_rl |
| formula | C30H51N3O21 |
| global charge | 0 |
| mol weight | 789.738 |
| InChIKey | WJMBHLJWUYCZTL-HLFASSIQSA-N |
| InChI | InChI=1S/C30H51N3O21/c1-8(38)31-15-21(44)18(41)11(4-34)49-28(15)54-26-20(43)13(6-36)50-30(23(26)46)52-24-14(7-37)51-29(16(22(24)45)32-9(2)39)53-25-17(33-10(3)40)27(47)48-12(5-35)19(25)42/h11-30,34-37,41-47H,4-7H2,1-3H3,(H,31,38)(H,32,39)(H,33,40)/t11-,12+,13-,14-,15-,16-,17+,18+,19-,20+,21-,22-,23+,24+,25-,26-,27+,28+,29+,30+/m0/s1 |
| SMILES | CC(=O)N[C@@H]1[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@H]3[C@@H](O)[C@H](NC(C)=O)[C@@H](O[C@@H]4[C@@H](O)[C@@H](CO)O[C@@H](O)[C@@H]4NC(C)=O)O[C@H]3CO)O[C@@H](CO)[C@H]2O)O[C@@H](CO)[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C30H51N3O21/c1-8(38)31-15-21(44)18(41)11(4-34)49-28(15)54-26-20(43)13(6-36)50-30(23(26)46)52-24-14(7-37)51-29(16(22(24)45)32-9(2)39)53-25-17(33-10(3)40)27(47)48-12(5-35)19(25)42/h11-30,34-37,41-47H,4-7H2,1-3H3,(H,31,38)(H,32,39)(H,33,40)/t11-,12+,13-,14-,15-,16-,17+,18+,19-,20+,21-,22-,23+,24+,25-,26-,27+,28+,29+,30+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:8]([NH:31][C@H:15]1[C@H:21]([OH:44])[C@H:18]([OH:41])[C@H:11]([CH2:4][OH:34])[O:49][C@@H:28]1[O:54][C@H:26]1[C@H:20]([OH:43])[C@H:13]([CH2:6][OH:36])[O:50][C@H:30]([O:52][C@@H:24]2[C@H:14]([CH2:7][OH:37])[O:51][C@H:29]([O:53][C@H:25]3[C@@H:17]([NH:33][C:10]([CH3:3])=[O:40])[C@H:27]([OH:47])[O:48][C@H:12]([CH2:5][OH:35])[C@@H:19]3[OH:42])[C@@H:16]([NH:32][C:9]([CH3:2])=[O:39])[C@@H:22]2[OH:45])[C@@H:23]1[OH:46])=[O:38] |
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