| Properties | Image |
|---|
| MNX_ID | MNXM119008 |
 |
| reference | chebi:72472 |
| formula | C27H44N2O20 |
| global charge | 0 |
| mol weight | 716.643 |
| InChIKey | CQJCWCSUDWYBDG-BJHNEYRISA-N |
| InChI | InChI=1S/C27H44N2O20/c1-8(32)28-15-11(35)4-27(26(42)43,48-22(15)17(37)12(36)7-44-10(3)34)49-23-18(38)13(5-30)46-25(20(23)40)47-21-14(6-31)45-24(41)16(19(21)39)29-9(2)33/h11-25,30-31,35-41H,4-7H2,1-3H3,(H,28,32)(H,29,33)(H,42,43)/t11-,12+,13+,14+,15+,16+,17+,18-,19+,20+,21+,22+,23-,24+,25-,27-/m0/s1 |
| SMILES | CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)COC(C)=O)O3)[C@H]2O)[C@@H](CO)O[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C27H44N2O20/c1-8(32)28-15-11(35)4-27(26(42)43,48-22(15)17(37)12(36)7-44-10(3)34)49-23-18(38)13(5-30)46-25(20(23)40)47-21-14(6-31)45-24(41)16(19(21)39)29-9(2)33/h11-25,30-31,35-41H,4-7H2,1-3H3,(H,28,32)(H,29,33)(H,42,43)/t11-,12+,13+,14+,15+,16+,17+,18-,19+,20+,21+,22+,23-,24+,25-,27-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C:8](=[N:28][C@@H:15]1[C@@H:11]([OH:35])[CH2:4][C@@:27]([C:26](=[O:42])[OH:43])([O:49][C@H:23]2[C@@H:18]([OH:38])[C@@H:13]([CH2:5][OH:30])[O:46][C@@H:25]([O:47][C@@H:21]3[C@@H:14]([CH2:6][OH:31])[O:45][C@@H:24]([OH:41])[C@H:16]([N:29]=[C:9]([CH3:2])[OH:33])[C@H:19]3[OH:39])[C@@H:20]2[OH:40])[O:48][C@H:22]1[C@@H:17]([C@@H:12]([CH2:7][O:44][C:10]([CH3:3])=[O:34])[OH:36])[OH:37])[OH:32] |
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