| Properties | Image |
|---|
| MNX_ID | MNXM1581681 |
 |
| reference | vmhM:MGlcn155_rl
vmhM:MGlcn155_rl |
| formula | C33H55N3O24 |
| global charge | 0 |
| mol weight | 877.8 |
| InChIKey | CZMMTWLCOJJHAT-BQAHWWLJSA-N |
| InChI | InChI=1S/C33H55N3O24/c1-9(41)34-17-12(44)4-33(32(52)53,59-27(17)20(46)13(45)5-37)60-28-22(48)15(7-39)55-31(24(28)50)57-25-16(8-40)56-30(18(23(25)49)35-10(2)42)58-26-19(36-11(3)43)29(51)54-14(6-38)21(26)47/h12-31,37-40,44-51H,4-8H2,1-3H3,(H,34,41)(H,35,42)(H,36,43)(H,52,53)/t12-,13-,14-,15+,16+,17+,18+,19-,20-,21+,22-,23+,24-,25-,26+,27+,28+,29-,30-,31-,33-/m1/s1 |
| SMILES | CC(=O)N[C@@H]1[C@@H](O[C@@H]2[C@@H](O)[C@@H](CO)O[C@@H](O)[C@@H]2NC(C)=O)O[C@@H](CO)[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O[C@@]3(C(=O)O)C[C@@H](O)[C@H](NC(C)=O)[C@@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C33H55N3O24/c1-9(41)34-17-12(44)4-33(32(52)53,59-27(17)20(46)13(45)5-37)60-28-22(48)15(7-39)55-31(24(28)50)57-25-16(8-40)56-30(18(23(25)49)35-10(2)42)58-26-19(36-11(3)43)29(51)54-14(6-38)21(26)47/h12-31,37-40,44-51H,4-8H2,1-3H3,(H,34,41)(H,35,42)(H,36,43)(H,52,53)/t12-,13-,14-,15+,16+,17+,18+,19-,20-,21+,22-,23+,24-,25-,26+,27+,28+,29-,30-,31-,33-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:9]([NH:34][C@H:17]1[C@H:12]([OH:44])[CH2:4][C@:33]([C:32](=[O:52])[OH:53])([O:60][C@H:28]2[C@H:22]([OH:48])[C@H:15]([CH2:7][OH:39])[O:55][C@H:31]([O:57][C@@H:25]3[C@H:16]([CH2:8][OH:40])[O:56][C@H:30]([O:58][C@H:26]4[C@@H:19]([NH:36][C:11]([CH3:3])=[O:43])[C@H:29]([OH:51])[O:54][C@H:14]([CH2:6][OH:38])[C@@H:21]4[OH:47])[C@@H:18]([NH:35][C:10]([CH3:2])=[O:42])[C@@H:23]3[OH:49])[C@@H:24]2[OH:50])[O:59][C@@H:27]1[C@@H:20]([C@@H:13]([CH2:5][OH:37])[OH:45])[OH:46])=[O:41] |
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