| Properties | Image |
|---|
| MNX_ID | MNXM1196082 |
 |
| reference | envipathM:...4c484b56ec26 |
| formula | C37H65NO16 |
| global charge | 0 |
| mol weight | 779.918 |
| InChIKey | QMYWIJKAARMFAX-NEBFFWBFSA-N |
| InChI | InChI=1S/C37H65NO16/c1-13-23-36(8,47)28(43)21(16-39)27(42)33(5,45)17-34(6,46)29(54-31-25(40)22(38(10)11)14-18(2)50-31)19(3)30(37(9,48)32(44)52-23)53-24-15-35(7,49-12)26(41)20(4)51-24/h18-24,26,28-31,39,41,43,45-48H,13-17H2,1-12H3/t18-,19-,20+,21+,22+,23-,24+,26+,28-,29-,30+,31+,33+,34-,35-,36-,37+/m1/s1 |
| SMILES | CC[C@H]1OC(=O)[C@@](C)(O)[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](C)C[C@H](N(C)C)C2=O)[C@](C)(O)C[C@](C)(O)C(=O)[C@H](CO)[C@@H](O)[C@]1(C)O |
MNX internals
| InChI (mnx) | InChI=1/C37H65NO16/c1-13-23-36(8,47)28(43)21(16-39)27(42)33(5,45)17-34(6,46)29(54-31-25(40)22(38(10)11)14-18(2)50-31)19(3)30(37(9,48)32(44)52-23)53-24-15-35(7,49-12)26(41)20(4)51-24/h18-24,26,28-31,39,41,43,45-48H,13-17H2,1-12H3/t18-,19-,20+,21+,22+,23-,24+,26+,28-,29-,30+,31+,33+,34-,35-,36-,37+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:13][C@@H:23]1[C@@:36]([CH3:8])([OH:47])[C@H:28]([OH:43])[C@@H:21]([CH2:16][OH:39])[C:27](=[O:42])[C@@:33]([CH3:5])([OH:45])[CH2:17][C@@:34]([CH3:6])([OH:46])[C@H:29]([O:54][C@H:31]2[C:25](=[O:40])[C@@H:22]([N:38]([CH3:10])[CH3:11])[CH2:14][C@@H:18]([CH3:2])[O:50]2)[C@@H:19]([CH3:3])[C@H:30]([O:53][C@H:24]2[CH2:15][C@@:35]([CH3:7])([O:49][CH3:12])[C@@H:26]([OH:41])[C@H:20]([CH3:4])[O:51]2)[C@:37]([CH3:9])([OH:48])[C:32](=[O:44])[O:52]1 |
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