| Properties | Image |
|---|
| MNX_ID | MNXM1195540 |
 |
| reference | envipathM:...bb625ea50428 |
| formula | C37H66NO16 |
| global charge | -1 |
| mol weight | 780.926 |
| InChIKey | KUZAKFDWDBQLJS-IETSRXMKSA-M |
| InChI | InChI=1S/C37H67NO16/c1-13-24(40)36(8,48)29(43)18(3)26(41)19(4)30(44)37(9,49)32(54-34-27(42)22(38(10)11)14-17(2)51-34)20(5)28(21(6)33(46)47)53-25-15-35(7,50-12)31(45)23(16-39)52-25/h17-25,27-28,30-32,34,39-40,42,44-45,48-49H,13-16H2,1-12H3,(H,46,47)/p-1/t17-,18+,19+,20+,21-,22+,23+,24-,25+,27-,28+,30?,31+,32-,34+,35-,36-,37-/m1/s1 |
| SMILES | CC[C@@H](O)[C@@](C)(O)C(=O)[C@@H](C)C(=O)[C@H](C)C(O)[C@@](C)(O)[C@H](O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O)[C@@H](C)[C@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](CO)O1)[C@@H](C)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C37H67NO16/c1-13-24(40)36(8,48)29(43)18(3)26(41)19(4)30(44)37(9,49)32(54-34-27(42)22(38(10)11)14-17(2)51-34)20(5)28(21(6)33(46)47)53-25-15-35(7,50-12)31(45)23(16-39)52-25/h17-25,27-28,30-32,34,39-40,42,44-45,48-49H,13-16H2,1-12H3,(H,46,47)/t17-,18+,19+,20+,21-,22+,23+,24-,25+,27-,28+,30?,31+,32-,34+,35-,36-,37-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:13][C@H:24]([C@:36]([CH3:8])([C:29]([C@@H:18]([CH3:3])[C:26]([C@H:19]([CH3:4])[CH:30]([C@:37]([CH3:9])([C@@H:32]([C@@H:20]([CH3:5])[C@@H:28]([C@@H:21]([CH3:6])[C:33](=[O:46])[OH:47])[O:53][C@H:25]1[CH2:15][C@@:35]([CH3:7])([O:50][CH3:12])[C@@H:31]([OH:45])[C@H:23]([CH2:16][OH:39])[O:52]1)[O:54][C@H:34]1[C@H:27]([OH:42])[C@@H:22]([N:38]([CH3:10])[CH3:11])[CH2:14][C@@H:17]([CH3:2])[O:51]1)[OH:49])[OH:44])=[O:41])=[O:43])[OH:48])[OH:40] |
|