| Properties | Image |
|---|
| MNX_ID | MNXM1198306 |
 |
| reference | envipathM:...5440bfcb4cfe |
| formula | C37H64NO15 |
| global charge | -1 |
| mol weight | 762.911 |
| InChIKey | HPMQIGYEEYTGOJ-MUWUPKEXSA-M |
| InChI | InChI=1S/C37H65NO15/c1-17-15-35(7,46)32(53-34-28(42)23(38(10)11)13-18(2)49-34)20(4)29(52-26-16-36(8,48-12)31(44)22(6)50-26)21(5)33(45)51-24(14-25(39)40)37(9,47)30(43)19(3)27(17)41/h17-24,26,28-32,34,42-44,46-47H,13-16H2,1-12H3,(H,39,40)/p-1/t17-,18-,19+,20+,21-,22+,23+,24-,26+,28-,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)[C@H]3O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC(=O)[O-])OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C37H65NO15/c1-17-15-35(7,46)32(53-34-28(42)23(38(10)11)13-18(2)49-34)20(4)29(52-26-16-36(8,48-12)31(44)22(6)50-26)21(5)33(45)51-24(14-25(39)40)37(9,47)30(43)19(3)27(17)41/h17-24,26,28-32,34,42-44,46-47H,13-16H2,1-12H3,(H,39,40)/t17-,18-,19+,20+,21-,22+,23+,24-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:17]1[CH2:15][C@@:35]([CH3:7])([OH:46])[C@H:32]([O:53][C@H:34]2[C@H:28]([OH:42])[C@@H:23]([N:38]([CH3:10])[CH3:11])[CH2:13][C@@H:18]([CH3:2])[O:49]2)[C@@H:20]([CH3:4])[C@H:29]([O:52][C@H:26]2[CH2:16][C@@:36]([CH3:8])([O:48][CH3:12])[C@@H:31]([OH:44])[C@H:22]([CH3:6])[O:50]2)[C@@H:21]([CH3:5])[C:33](=[O:45])[O:51][C@H:24]([CH2:14][C:25](=[O:39])[OH:40])[C@@:37]([CH3:9])([OH:47])[C@H:30]([OH:43])[C@@H:19]([CH3:3])[C:27]1=[O:41] |
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