| Properties | Image |
|---|
| MNX_ID | MNXM1190989 |
 |
| reference | envipathM:...60fc3e4b3d96 |
| formula | C37H68NO17 |
| global charge | -1 |
| mol weight | 798.941 |
| InChIKey | RDGZRFIUWQAMOX-TVHUFVHFSA-M |
| InChI | InChI=1S/C37H69NO17/c1-13-23(40)35(7,48)27(43)17(2)25(41)18(3)28(44)36(8,49)33(55-32-26(42)22(38(10)11)14-21(16-39)53-32)37(9,50)30(19(4)31(46)47)54-24-15-34(6,51-12)29(45)20(5)52-24/h17-24,26-30,32-33,39-40,42-45,48-50H,13-16H2,1-12H3,(H,46,47)/p-1/t17-,18-,19+,20-,21-,22-,23+,24-,26+,27+,28?,29-,30+,32-,33-,34+,35+,36+,37+/m0/s1 |
| SMILES | CC[C@@H](O)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C(O)[C@@](C)(O)[C@H](O[C@@H]1O[C@H](CO)C[C@H](N(C)C)[C@H]1O)[C@](C)(O)[C@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C37H69NO17/c1-13-23(40)35(7,48)27(43)17(2)25(41)18(3)28(44)36(8,49)33(55-32-26(42)22(38(10)11)14-21(16-39)53-32)37(9,50)30(19(4)31(46)47)54-24-15-34(6,51-12)29(45)20(5)52-24/h17-24,26-30,32-33,39-40,42-45,48-50H,13-16H2,1-12H3,(H,46,47)/t17-,18-,19+,20-,21-,22-,23+,24-,26+,27+,28?,29-,30+,32-,33-,34+,35+,36+,37+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:13][C@H:23]([C@:35]([CH3:7])([C@@H:27]([C@@H:17]([CH3:2])[C:25]([C@H:18]([CH3:3])[CH:28]([C@:36]([CH3:8])([C@@H:33]([C@@:37]([CH3:9])([C@@H:30]([C@@H:19]([CH3:4])[C:31](=[O:46])[OH:47])[O:54][C@H:24]1[CH2:15][C@@:34]([CH3:6])([O:51][CH3:12])[C@@H:29]([OH:45])[C@H:20]([CH3:5])[O:52]1)[OH:50])[O:55][C@H:32]1[C@H:26]([OH:42])[C@@H:22]([N:38]([CH3:10])[CH3:11])[CH2:14][C@@H:21]([CH2:16][OH:39])[O:53]1)[OH:49])[OH:44])=[O:41])[OH:43])[OH:48])[OH:40] |
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