| Properties | Image |
|---|
| MNX_ID | MNXM1185919 |
 |
| reference | envipathM:...9657c5c983ed |
| formula | C36H63NO14 |
| global charge | 0 |
| mol weight | 733.893 |
| InChIKey | RUUSCAUGMUYDQJ-ZLZODTMSSA-N |
| InChI | InChI=1S/C36H63NO14/c1-16-14-34(8,44)30(51-33-26(40)23(37-11)13-17(2)47-33)19(4)27(49-24-15-35(9,46-12)29(42)22(7)48-24)20(5)32(43)50-31(21(6)38)36(10,45)28(41)18(3)25(16)39/h16-24,26-28,30-31,33,37-38,40-41,44-45H,13-15H2,1-12H3/t16-,17-,18+,19+,20-,21?,22+,23+,24+,26-,27+,28-,30-,31-,33+,34-,35-,36+/m1/s1 |
| SMILES | CN[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)C(=O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](C(C)O)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C36H63NO14/c1-16-14-34(8,44)30(51-33-26(40)23(37-11)13-17(2)47-33)19(4)27(49-24-15-35(9,46-12)29(42)22(7)48-24)20(5)32(43)50-31(21(6)38)36(10,45)28(41)18(3)25(16)39/h16-24,26-28,30-31,33,37-38,40-41,44-45H,13-15H2,1-12H3/t16-,17-,18+,19+,20-,21?,22+,23+,24+,26-,27+,28-,30-,31-,33+,34-,35-,36+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:16]1[CH2:14][C@@:34]([CH3:8])([OH:44])[C@H:30]([O:51][C@H:33]2[C@H:26]([OH:40])[C@@H:23]([NH:37][CH3:11])[CH2:13][C@@H:17]([CH3:2])[O:47]2)[C@@H:19]([CH3:4])[C@H:27]([O:49][C@H:24]2[CH2:15][C@@:35]([CH3:9])([O:46][CH3:12])[C:29](=[O:42])[C@H:22]([CH3:7])[O:48]2)[C@@H:20]([CH3:5])[C:32](=[O:43])[O:50][C@H:31]([CH:21]([CH3:6])[OH:38])[C@@:36]([CH3:10])([OH:45])[C@H:28]([OH:41])[C@@H:18]([CH3:3])[C:25]1=[O:39] |
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