| Properties | Image |
|---|
| MNX_ID | MNXM1544 |
 |
| reference | chebi:63851 |
| formula | C28H48N2O27S2 |
| global charge | 0 |
| mol weight | 908.813 |
| InChIKey | YQKNCCREYRQTLA-DXEUWILZSA-N |
| InChI | InChI=1S/C28H48N2O27S2/c1-7(33)29-13-18(38)15(35)11(5-49-58(43,44)45)53-26(13)57-24-17(37)10(4-32)52-28(21(24)41)55-22-12(6-50-59(46,47)48)54-27(14(19(22)39)30-8(2)34)56-23-16(36)9(3-31)51-25(42)20(23)40/h9-28,31-32,35-42H,3-6H2,1-2H3,(H,29,33)(H,30,34)(H,43,44,45)(H,46,47,48)/t9-,10-,11-,12-,13-,14-,15-,16+,17+,18-,19-,20-,21-,22-,23+,24+,25?,26+,27+,28+/m1/s1 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)OC(O)[C@@H]2O)O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C28H48N2O27S2/c1-7(33)29-13-18(38)15(35)11(5-49-58(43,44)45)53-26(13)57-24-17(37)10(4-32)52-28(21(24)41)55-22-12(6-50-59(46,47)48)54-27(14(19(22)39)30-8(2)34)56-23-16(36)9(3-31)51-25(42)20(23)40/h9-28,31-32,35-42H,3-6H2,1-2H3,(H,29,33)(H,30,34)(H,43,44,45)(H,46,47,48)/t9-,10-,11-,12-,13-,14-,15-,16+,17+,18-,19-,20-,21-,22-,23+,24+,25?,26+,27+,28+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:7](=[N:29][C@@H:13]1[C@@H:18]([OH:38])[C@H:15]([OH:35])[C@@H:11]([CH2:5][O:49][S:58]([OH:43])(=[O:44])=[O:45])[O:53][C@H:26]1[O:57][C@H:24]1[C@@H:17]([OH:37])[C@@H:10]([CH2:4][OH:32])[O:52][C@@H:28]([O:55][C@@H:22]2[C@@H:12]([CH2:6][O:50][S:59]([OH:46])(=[O:47])=[O:48])[O:54][C@@H:27]([O:56][C@H:23]3[C@@H:16]([OH:36])[C@@H:9]([CH2:3][OH:31])[O:51][CH:25]([OH:42])[C@@H:20]3[OH:40])[C@H:14]([N:30]=[C:8]([CH3:2])[OH:34])[C@H:19]2[OH:39])[C@@H:21]1[OH:41])[OH:33] |
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