| Properties | Image |
|---|
| MNX_ID | MNXM1191888 |
 |
| reference | envipathM:...c458318ca0ec |
| formula | C37H65NO14 |
| global charge | 0 |
| mol weight | 747.92 |
| InChIKey | LJOSQHZNUCARJR-YVLJALKQSA-N |
| InChI | InChI=1S/C37H65NO14/c1-14-24-36(10,45)29(40)22(5)28(39)33(7,43)18-34(8,44)31(52-26-17-37(46,38(11)12)15-19(2)48-26)20(3)27(21(4)32(42)50-24)51-25-16-35(9,47-13)30(41)23(6)49-25/h19-27,30-31,41,43-46H,14-18H2,1-13H3/t19-,20+,21-,22+,23+,24-,25+,26+,27+,30+,31-,33+,34-,35-,36-,37-/m1/s1 |
| SMILES | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@H]2C[C@@](O)(N(C)C)C[C@@H](C)O2)[C@](C)(O)C[C@](C)(O)C(=O)[C@H](C)C(=O)[C@]1(C)O |
MNX internals
| InChI (mnx) | InChI=1/C37H65NO14/c1-14-24-36(10,45)29(40)22(5)28(39)33(7,43)18-34(8,44)31(52-26-17-37(46,38(11)12)15-19(2)48-26)20(3)27(21(4)32(42)50-24)51-25-16-35(9,47-13)30(41)23(6)49-25/h19-27,30-31,41,43-46H,14-18H2,1-13H3/t19-,20+,21-,22+,23+,24-,25+,26+,27+,30+,31-,33+,34-,35-,36-,37-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:14][C@@H:24]1[C@@:36]([CH3:10])([OH:45])[C:29](=[O:40])[C@@H:22]([CH3:5])[C:28](=[O:39])[C@@:33]([CH3:7])([OH:43])[CH2:18][C@@:34]([CH3:8])([OH:44])[C@H:31]([O:52][C@H:26]2[CH2:17][C@:37]([N:38]([CH3:11])[CH3:12])([OH:46])[CH2:15][C@@H:19]([CH3:2])[O:48]2)[C@@H:20]([CH3:3])[C@H:27]([O:51][C@H:25]2[CH2:16][C@@:35]([CH3:9])([O:47][CH3:13])[C@@H:30]([OH:41])[C@H:23]([CH3:6])[O:49]2)[C@@H:21]([CH3:4])[C:32](=[O:42])[O:50]1 |
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