| Properties | Image |
|---|
| MNX_ID | MNXM1171707 |
 |
| reference | envipathM:...734901567b13 |
| formula | C37H68NO17 |
| global charge | -1 |
| mol weight | 798.941 |
| InChIKey | SZNXWSHUJOENAU-UIGHSUJTSA-M |
| InChI | InChI=1S/C37H69NO17/c1-17(26(18(2)32(46)47)54-24-14-36(8,51-12)30(45)21(5)52-24)31(55-33-25(41)23(38(10)11)13-22(15-39)53-33)35(7,49)16-34(6,48)27(42)19(3)28(43)37(9,50)29(44)20(4)40/h17-26,28-31,33,39-41,43-45,48-50H,13-16H2,1-12H3,(H,46,47)/p-1/t17-,18+,19-,20?,21-,22-,23-,24-,25+,26-,28+,29+,30-,31+,33-,34-,35+,36+,37-/m0/s1 |
| SMILES | CO[C@]1(C)C[C@H](O[C@@H]([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@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@H](O)C(C)O)[C@@H](C)C(=O)[O-])O[C@@H](C)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C37H69NO17/c1-17(26(18(2)32(46)47)54-24-14-36(8,51-12)30(45)21(5)52-24)31(55-33-25(41)23(38(10)11)13-22(15-39)53-33)35(7,49)16-34(6,48)27(42)19(3)28(43)37(9,50)29(44)20(4)40/h17-26,28-31,33,39-41,43-45,48-50H,13-16H2,1-12H3,(H,46,47)/t17-,18+,19-,20?,21-,22-,23-,24-,25+,26-,28+,29+,30-,31+,33-,34-,35+,36+,37-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:17]([C@@H:26]([C@@H:18]([CH3:2])[C:32](=[O:46])[OH:47])[O:54][C@H:24]1[CH2:14][C@@:36]([CH3:8])([O:51][CH3:12])[C@@H:30]([OH:45])[C@H:21]([CH3:5])[O:52]1)[C@H:31]([C@@:35]([CH3:7])([CH2:16][C@@:34]([CH3:6])([C:27]([C@H:19]([CH3:3])[C@H:28]([C@@:37]([CH3:9])([C@@H:29]([CH:20]([CH3:4])[OH:40])[OH:44])[OH:50])[OH:43])=[O:42])[OH:48])[OH:49])[O:55][C@H:33]1[C@H:25]([OH:41])[C@@H:23]([N:38]([CH3:10])[CH3:11])[CH2:13][C@@H:22]([CH2:15][OH:39])[O:53]1 |
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