| Properties | Image |
|---|
| MNX_ID | MNXM160946 |
 |
| reference | chebi:78711 |
| formula | C36H59NO25 |
| global charge | 0 |
| mol weight | 905.85 |
| InChIKey | NREQDKQOSHELHJ-DRFXVLMSSA-N |
| InChI | InChI=1S/C36H59NO25/c1-9-18(42)23(47)31(62-34-25(49)29(56-14(6)41)19(43)10(2)53-34)36(54-9)61-30-26(50)35(55-11(3)27(30)59-33-24(48)22(46)20(44)15(7-38)58-33)60-28-17(37-12(4)39)32(51)57-16(21(28)45)8-52-13(5)40/h9-11,15-36,38,42-51H,7-8H2,1-6H3,(H,37,39)/t9-,10-,11-,15+,16+,17+,18-,19-,20+,21+,22-,23+,24+,25+,26+,27-,28+,29+,30-,31+,32+,33+,34-,35-,36-/m0/s1 |
| SMILES | CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](OC(C)=O)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](COC(C)=O)O[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C36H59NO25/c1-9-18(42)23(47)31(62-34-25(49)29(56-14(6)41)19(43)10(2)53-34)36(54-9)61-30-26(50)35(55-11(3)27(30)59-33-24(48)22(46)20(44)15(7-38)58-33)60-28-17(37-12(4)39)32(51)57-16(21(28)45)8-52-13(5)40/h9-11,15-36,38,42-51H,7-8H2,1-6H3,(H,37,39)/t9-,10-,11-,15+,16+,17+,18-,19-,20+,21+,22-,23+,24+,25+,26+,27-,28+,29+,30-,31+,32+,33+,34-,35-,36-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:9]1[C@H:18]([OH:42])[C@@H:23]([OH:47])[C@@H:31]([O:62][C@H:34]2[C@H:25]([OH:49])[C@H:29]([O:56][C:14]([CH3:6])=[O:41])[C@@H:19]([OH:43])[C@H:10]([CH3:2])[O:53]2)[C@H:36]([O:61][C@H:30]2[C@@H:26]([OH:50])[C@H:35]([O:60][C@@H:28]3[C@@H:17]([N:37]=[C:12]([CH3:4])[OH:39])[C@H:32]([OH:51])[O:57][C@H:16]([CH2:8][O:52][C:13]([CH3:5])=[O:40])[C@H:21]3[OH:45])[O:55][C@@H:11]([CH3:3])[C@@H:27]2[O:59][C@@H:33]2[C@H:24]([OH:48])[C@@H:22]([OH:46])[C@H:20]([OH:44])[C@@H:15]([CH2:7][OH:38])[O:58]2)[O:54]1 |
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