| Properties | Image |
|---|
| MNX_ID | MNXM1191876 |
 |
| reference | envipathM:...9e1c6578a521 |
| formula | C37H65NO16 |
| global charge | 0 |
| mol weight | 779.918 |
| InChIKey | SEABJTBZTVMPTO-HSBSUVBFSA-N |
| InChI | InChI=1S/C37H65NO16/c1-14-22-35(8,46)30(42)37(10,48)29(41)33(6,45)17-32(5,44)26(54-28-24(39)21(38(11)12)15-18(2)50-28)19(3)27(36(9,47)31(43)52-22)53-23-16-34(7,49-13)25(40)20(4)51-23/h18-23,25-28,30,40,42,44-48H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,25+,26-,27+,28+,30+,32-,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@@](C)(O)[C@@H](O)[C@]1(C)O |
MNX internals
| InChI (mnx) | InChI=1/C37H65NO16/c1-14-22-35(8,46)30(42)37(10,48)29(41)33(6,45)17-32(5,44)26(54-28-24(39)21(38(11)12)15-18(2)50-28)19(3)27(36(9,47)31(43)52-22)53-23-16-34(7,49-13)25(40)20(4)51-23/h18-23,25-28,30,40,42,44-48H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,25+,26-,27+,28+,30+,32-,33+,34-,35-,36+,37-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:14][C@@H:22]1[C@@:35]([CH3:8])([OH:46])[C@H:30]([OH:42])[C@:37]([CH3:10])([OH:48])[C:29](=[O:41])[C@@:33]([CH3:6])([OH:45])[CH2:17][C@@:32]([CH3:5])([OH:44])[C@H:26]([O:54][C@H:28]2[C:24](=[O:39])[C@@H:21]([N:38]([CH3:11])[CH3:12])[CH2:15][C@@H:18]([CH3:2])[O:50]2)[C@@H:19]([CH3:3])[C@H:27]([O:53][C@H:23]2[CH2:16][C@@:34]([CH3:7])([O:49][CH3:13])[C@@H:25]([OH:40])[C@H:20]([CH3:4])[O:51]2)[C@:36]([CH3:9])([OH:47])[C:31](=[O:43])[O:52]1 |
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