| Properties | Image |
|---|
| MNX_ID | MNXM1187760 |
 |
| reference | envipathM:...c8a0c5e4e904 |
| formula | C37H68NO17 |
| global charge | -1 |
| mol weight | 798.941 |
| InChIKey | UMNZFDDAOFNJFW-DUZFBBMNSA-M |
| InChI | InChI=1S/C37H69NO17/c1-14-22(39)34(7,47)30(44)36(9,49)32(46)37(10,50)31(45)35(8,48)27(55-29-24(40)21(38(11)12)15-17(2)52-29)18(3)25(19(4)28(42)43)54-23-16-33(6,51-13)26(41)20(5)53-23/h17-27,29-31,39-41,44-45,47-50H,14-16H2,1-13H3,(H,42,43)/p-1/t17-,18+,19-,20+,21+,22-,23+,24-,25+,26+,27-,29+,30+,31?,33-,34-,35+,36+,37+/m1/s1 |
| SMILES | CC[C@@H](O)[C@@](C)(O)[C@H](O)[C@](C)(O)C(=O)[C@@](C)(O)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](C)O1)[C@@H](C)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C37H69NO17/c1-14-22(39)34(7,47)30(44)36(9,49)32(46)37(10,50)31(45)35(8,48)27(55-29-24(40)21(38(11)12)15-17(2)52-29)18(3)25(19(4)28(42)43)54-23-16-33(6,51-13)26(41)20(5)53-23/h17-27,29-31,39-41,44-45,47-50H,14-16H2,1-13H3,(H,42,43)/t17-,18+,19-,20+,21+,22-,23+,24-,25+,26+,27-,29+,30+,31?,33-,34-,35+,36+,37+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:14][C@H:22]([C@:34]([CH3:7])([C@@H:30]([C@@:36]([CH3:9])([C:32]([C@:37]([CH3:10])([CH:31]([C@:35]([CH3:8])([C@@H:27]([C@@H:18]([CH3:3])[C@@H:25]([C@@H:19]([CH3:4])[C:28](=[O:42])[OH:43])[O:54][C@H:23]1[CH2:16][C@@:33]([CH3:6])([O:51][CH3:13])[C@@H:26]([OH:41])[C@H:20]([CH3:5])[O:53]1)[O:55][C@H:29]1[C@H:24]([OH:40])[C@@H:21]([N:38]([CH3:11])[CH3:12])[CH2:15][C@@H:17]([CH3:2])[O:52]1)[OH:48])[OH:45])[OH:50])=[O:46])[OH:49])[OH:44])[OH:47])[OH:39] |
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