| Properties | Image |
|---|
| MNX_ID | MNXM1174748 |
 |
| reference | envipathM:...c79c9a76894b |
| formula | C37H64NO16 |
| global charge | -1 |
| mol weight | 778.91 |
| InChIKey | BTIJFDWCBXXDCZ-IDBXEHJZSA-M |
| InChI | InChI=1S/C37H65NO16/c1-12-23-37(8,48)29(42)18(3)26(40)17(2)14-35(6,47)31(54-34-27(41)22(38(9)10)13-21(16-39)51-34)19(4)28(25(32(44)45)33(46)52-23)53-24-15-36(7,49-11)30(43)20(5)50-24/h17-25,27-31,34,39,41-43,47-48H,12-16H2,1-11H3,(H,44,45)/p-1/t17-,18+,19+,20+,21+,22+,23-,24+,25+,27-,28+,29-,30+,31-,34+,35-,36-,37-/m1/s1 |
| SMILES | CC[C@H]1OC(=O)[C@H](C(=O)[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/c1-12-23-37(8,48)29(42)18(3)26(40)17(2)14-35(6,47)31(54-34-27(41)22(38(9)10)13-21(16-39)51-34)19(4)28(25(32(44)45)33(46)52-23)53-24-15-36(7,49-11)30(43)20(5)50-24/h17-25,27-31,34,39,41-43,47-48H,12-16H2,1-11H3,(H,44,45)/t17-,18+,19+,20+,21+,22+,23-,24+,25+,27-,28+,29-,30+,31-,34+,35-,36-,37-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:12][C@@H:23]1[C@@:37]([CH3:8])([OH:48])[C@H:29]([OH:42])[C@@H:18]([CH3:3])[C:26](=[O:40])[C@H:17]([CH3:2])[CH2:14][C@@:35]([CH3:6])([OH:47])[C@H:31]([O:54][C@H:34]2[C@H:27]([OH:41])[C@@H:22]([N:38]([CH3:9])[CH3:10])[CH2:13][C@@H:21]([CH2:16][OH:39])[O:51]2)[C@@H:19]([CH3:4])[C@H:28]([O:53][C@H:24]2[CH2:15][C@@:36]([CH3:7])([O:49][CH3:11])[C@@H:30]([OH:43])[C@H:20]([CH3:5])[O:50]2)[C@@H:25]([C:32](=[O:44])[OH:45])[C:33](=[O:46])[O:52]1 |
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