| Properties | Image |
|---|
| MNX_ID | MNXM1189395 |
 |
| reference | envipathM:...4780bddca601 |
| formula | C37H63NO15 |
| global charge | 0 |
| mol weight | 761.903 |
| InChIKey | PPNCCTZBUCOAHW-PIVFNSRKSA-N |
| InChI | InChI=1S/C37H63NO15/c1-18-15-35(6,46)32(53-34-28(42)24(38(9)10)14-19(2)49-34)21(4)29(52-26-16-36(7,48-11)31(44)22(5)50-26)23(17-40)33(45)51-25(12-13-39)37(8,47)30(43)20(3)27(18)41/h13,18-26,29-32,34,40,43-44,46-47H,12,14-17H2,1-11H3/t18-,19-,20+,21+,22+,23-,24+,25-,26+,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 |
| SMILES | CO[C@]1(C)C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)C3=O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC=O)OC(=O)[C@@H]2CO)O[C@@H](C)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C37H63NO15/c1-18-15-35(6,46)32(53-34-28(42)24(38(9)10)14-19(2)49-34)21(4)29(52-26-16-36(7,48-11)31(44)22(5)50-26)23(17-40)33(45)51-25(12-13-39)37(8,47)30(43)20(3)27(18)41/h13,18-26,29-32,34,40,43-44,46-47H,12,14-17H2,1-11H3/t18-,19-,20+,21+,22+,23-,24+,25-,26+,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:18]1[CH2:15][C@@:35]([CH3:6])([OH:46])[C@H:32]([O:53][C@H:34]2[C:28](=[O:42])[C@@H:24]([N:38]([CH3:9])[CH3:10])[CH2:14][C@@H:19]([CH3:2])[O:49]2)[C@@H:21]([CH3:4])[C@H:29]([O:52][C@H:26]2[CH2:16][C@@:36]([CH3:7])([O:48][CH3:11])[C@@H:31]([OH:44])[C@H:22]([CH3:5])[O:50]2)[C@@H:23]([CH2:17][OH:40])[C:33](=[O:45])[O:51][C@H:25]([CH2:12][CH:13]=[O:39])[C@@:37]([CH3:8])([OH:47])[C@H:30]([OH:43])[C@@H:20]([CH3:3])[C:27]1=[O:41] |
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