| Properties | Image |
|---|
| MNX_ID | MNXM1173468 |
 |
| reference | envipathM:...6a64a5131de8 |
| formula | C37H63NO14 |
| global charge | 0 |
| mol weight | 745.904 |
| InChIKey | DCVSIQQNMLRJIB-SJWCKCIISA-N |
| InChI | InChI=1S/C37H63NO14/c1-13-25-37(9,46)30(42)19(3)27(40)18(2)15-35(7,45)32(52-34-28(41)24(38(10)11)14-23(17-39)49-34)20(4)29(21(5)33(44)50-25)51-26-16-36(8,47-12)31(43)22(6)48-26/h18-26,29,31-32,34,39,43,45-46H,13-17H2,1-12H3/t18-,19+,20+,21-,22+,23+,24+,25-,26+,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](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](CO)C[C@H](N(C)C)C2=O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)C(=O)[C@]1(C)O |
MNX internals
| InChI (mnx) | InChI=1/C37H63NO14/c1-13-25-37(9,46)30(42)19(3)27(40)18(2)15-35(7,45)32(52-34-28(41)24(38(10)11)14-23(17-39)49-34)20(4)29(21(5)33(44)50-25)51-26-16-36(8,47-12)31(43)22(6)48-26/h18-26,29,31-32,34,39,43,45-46H,13-17H2,1-12H3/t18-,19+,20+,21-,22+,23+,24+,25-,26+,29+,31+,32-,34+,35-,36-,37-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:13][C@@H:25]1[C@@:37]([CH3:9])([OH:46])[C:30](=[O:42])[C@@H:19]([CH3:3])[C:27](=[O:40])[C@H:18]([CH3:2])[CH2:15][C@@:35]([CH3:7])([OH:45])[C@H:32]([O:52][C@H:34]2[C:28](=[O:41])[C@@H:24]([N:38]([CH3:10])[CH3:11])[CH2:14][C@@H:23]([CH2:17][OH:39])[O:49]2)[C@@H:20]([CH3:4])[C@H:29]([O:51][C@H:26]2[CH2:16][C@@:36]([CH3:8])([O:47][CH3:12])[C@@H:31]([OH:43])[C@H:22]([CH3:6])[O:48]2)[C@@H:21]([CH3:5])[C:33](=[O:44])[O:50]1 |
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