| Properties | Image |
|---|
| MNX_ID | MNXM1175989 |
 |
| reference | envipathM:...b6ac8a80eee0 |
| formula | C37H65NO16 |
| global charge | 0 |
| mol weight | 779.918 |
| InChIKey | WLNWIGZQSHDGEK-MKULHICZSA-N |
| InChI | InChI=1S/C37H65NO16/c1-12-24-36(8,47)28(43)19(3)26(41)18(2)14-34(6,46)30(54-32-27(42)23(38(9)10)13-22(16-39)51-32)20(4)31(37(48,17-40)33(45)52-24)53-25-15-35(7,49-11)29(44)21(5)50-25/h17-25,27-32,39,42-44,46-48H,12-16H2,1-11H3/t18-,19+,20-,21+,22+,23+,24-,25+,27-,28-,29+,30-,31+,32+,34-,35-,36-,37+/m1/s1 |
| SMILES | CC[C@H]1OC(=O)[C@](O)(C=O)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](CO)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O |
MNX internals
| InChI (mnx) | InChI=1/C37H65NO16/c1-12-24-36(8,47)28(43)19(3)26(41)18(2)14-34(6,46)30(54-32-27(42)23(38(9)10)13-22(16-39)51-32)20(4)31(37(48,17-40)33(45)52-24)53-25-15-35(7,49-11)29(44)21(5)50-25/h17-25,27-32,39,42-44,46-48H,12-16H2,1-11H3/t18-,19+,20-,21+,22+,23+,24-,25+,27-,28-,29+,30-,31+,32+,34-,35-,36-,37+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:12][C@@H:24]1[C@@:36]([CH3:8])([OH:47])[C@H:28]([OH:43])[C@@H:19]([CH3:3])[C:26](=[O:41])[C@H:18]([CH3:2])[CH2:14][C@@:34]([CH3:6])([OH:46])[C@H:30]([O:54][C@H:32]2[C@H:27]([OH:42])[C@@H:23]([N:38]([CH3:9])[CH3:10])[CH2:13][C@@H:22]([CH2:16][OH:39])[O:51]2)[C@@H:20]([CH3:4])[C@H:31]([O:53][C@H:25]2[CH2:15][C@@:35]([CH3:7])([O:49][CH3:11])[C@@H:29]([OH:44])[C@H:21]([CH3:5])[O:50]2)[C@:37]([CH:17]=[O:40])([OH:48])[C:33](=[O:45])[O:52]1 |
|