| Properties | Image |
|---|
| MNX_ID | MNXM1187354 |
 |
| reference | envipathM:...fbc017da8eb7 |
| formula | C37H65NO16 |
| global charge | 0 |
| mol weight | 779.918 |
| InChIKey | MIMWTCIGDGTJQQ-CHOGHGSWSA-N |
| InChI | InChI=1S/C37H65NO16/c1-17-14-22(38(11)12)24(40)31(50-17)54-32-34(7,46)16-33(6,45)25(41)18(2)26(42)36(9,47)29(20(4)39)53-30(44)19(3)28(37(32,10)48)52-23-15-35(8,49-13)27(43)21(5)51-23/h17-23,26-29,31-32,39,42-43,45-48H,14-16H2,1-13H3/t17-,18+,19-,20?,21+,22+,23+,26-,27+,28-,29-,31+,32+,33+,34-,35-,36+,37-/m1/s1 |
| SMILES | CO[C@]1(C)C[C@H](O[C@@H]2[C@@H](C)C(=O)O[C@H](C(C)O)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@@](C)(O)C[C@@](C)(O)[C@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)C3=O)[C@]2(C)O)O[C@@H](C)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C37H65NO16/c1-17-14-22(38(11)12)24(40)31(50-17)54-32-34(7,46)16-33(6,45)25(41)18(2)26(42)36(9,47)29(20(4)39)53-30(44)19(3)28(37(32,10)48)52-23-15-35(8,49-13)27(43)21(5)51-23/h17-23,26-29,31-32,39,42-43,45-48H,14-16H2,1-13H3/t17-,18+,19-,20?,21+,22+,23+,26-,27+,28-,29-,31+,32+,33+,34-,35-,36+,37-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:17]1[CH2:14][C@H:22]([N:38]([CH3:11])[CH3:12])[C:24](=[O:40])[C@H:31]([O:54][C@H:32]2[C@:34]([CH3:7])([OH:46])[CH2:16][C@:33]([CH3:6])([OH:45])[C:25](=[O:41])[C@H:18]([CH3:2])[C@@H:26]([OH:42])[C@:36]([CH3:9])([OH:47])[C@@H:29]([CH:20]([CH3:4])[OH:39])[O:53][C:30](=[O:44])[C@H:19]([CH3:3])[C@@H:28]([O:52][C@H:23]3[CH2:15][C@@:35]([CH3:8])([O:49][CH3:13])[C@@H:27]([OH:43])[C@H:21]([CH3:5])[O:51]3)[C@@:37]2([CH3:10])[OH:48])[O:50]1 |
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