| Properties | Image |
|---|
| MNX_ID | MNXM1172586 |
 |
| reference | envipathM:...452b92ff51e4 |
| formula | C36H65NO16 |
| global charge | 0 |
| mol weight | 767.907 |
| InChIKey | FZSLIVHXYHOHQK-XBRPNEOGSA-N |
| InChI | InChI=1S/C36H65NO16/c1-12-22-35(8,46)26(41)17(2)25(40)32(5,44)16-33(6,45)31(53-30-24(39)21(37-10)13-20(15-38)50-30)36(9,47)28(18(3)29(43)51-22)52-23-14-34(7,48-11)27(42)19(4)49-23/h17-24,26-28,30-31,37-39,41-42,44-47H,12-16H2,1-11H3/t17-,18+,19-,20-,21-,22+,23-,24+,26+,27-,28+,30-,31-,32-,33+,34+,35+,36+/m0/s1 |
| SMILES | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@](C)(O)[C@@H](O[C@@H]2O[C@H](CO)C[C@H](NC)[C@H]2O)[C@](C)(O)C[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O |
MNX internals
| InChI (mnx) | InChI=1/C36H65NO16/c1-12-22-35(8,46)26(41)17(2)25(40)32(5,44)16-33(6,45)31(53-30-24(39)21(37-10)13-20(15-38)50-30)36(9,47)28(18(3)29(43)51-22)52-23-14-34(7,48-11)27(42)19(4)49-23/h17-24,26-28,30-31,37-39,41-42,44-47H,12-16H2,1-11H3/t17-,18+,19-,20-,21-,22+,23-,24+,26+,27-,28+,30-,31-,32-,33+,34+,35+,36+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:12][C@@H:22]1[C@@:35]([CH3:8])([OH:46])[C@H:26]([OH:41])[C@@H:17]([CH3:2])[C:25](=[O:40])[C@@:32]([CH3:5])([OH:44])[CH2:16][C@@:33]([CH3:6])([OH:45])[C@H:31]([O:53][C@H:30]2[C@H:24]([OH:39])[C@@H:21]([NH:37][CH3:10])[CH2:13][C@@H:20]([CH2:15][OH:38])[O:50]2)[C@:36]([CH3:9])([OH:47])[C@H:28]([O:52][C@H:23]2[CH2:14][C@@:34]([CH3:7])([O:48][CH3:11])[C@@H:27]([OH:42])[C@H:19]([CH3:4])[O:49]2)[C@@H:18]([CH3:3])[C:29](=[O:43])[O:51]1 |
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