| Properties | Image |
|---|
| MNX_ID | MNXM1190077 |
 |
| reference | envipathM:...fc46c20b07a9 |
| formula | C37H63NO15 |
| global charge | 0 |
| mol weight | 761.903 |
| InChIKey | SXJBRHCXZHPHSR-YCDBHFAUSA-N |
| InChI | InChI=1S/C37H63NO15/c1-12-25-37(8,47)30(43)20(4)27(41)18(2)14-35(6,46)32(53-34-28(42)23(38(9)10)13-19(3)49-34)22(16-39)29(21(5)33(45)51-25)52-26-15-36(7,48-11)31(44)24(17-40)50-26/h16,18-26,28-29,31-32,34,40,42,44,46-47H,12-15,17H2,1-11H3/t18-,19-,20+,21-,22+,23+,24+,25-,26+,28-,29-,31+,32-,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](CO)O2)[C@H](C=O)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)C(=O)[C@]1(C)O |
MNX internals
| InChI (mnx) | InChI=1/C37H63NO15/c1-12-25-37(8,47)30(43)20(4)27(41)18(2)14-35(6,46)32(53-34-28(42)23(38(9)10)13-19(3)49-34)22(16-39)29(21(5)33(45)51-25)52-26-15-36(7,48-11)31(44)24(17-40)50-26/h16,18-26,28-29,31-32,34,40,42,44,46-47H,12-15,17H2,1-11H3/t18-,19-,20+,21-,22+,23+,24+,25-,26+,28-,29-,31+,32-,34+,35-,36-,37-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:12][C@@H:25]1[C@@:37]([CH3:8])([OH:47])[C:30](=[O:43])[C@@H:20]([CH3:4])[C:27](=[O:41])[C@H:18]([CH3:2])[CH2:14][C@@:35]([CH3:6])([OH:46])[C@H:32]([O:53][C@H:34]2[C@H:28]([OH:42])[C@@H:23]([N:38]([CH3:9])[CH3:10])[CH2:13][C@@H:19]([CH3:3])[O:49]2)[C@@H:22]([CH:16]=[O:39])[C@H:29]([O:52][C@H:26]2[CH2:15][C@@:36]([CH3:7])([O:48][CH3:11])[C@@H:31]([OH:44])[C@H:24]([CH2:17][OH:40])[O:50]2)[C@@H:21]([CH3:5])[C:33](=[O:45])[O:51]1 |
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