| Properties | Image |
|---|
| MNX_ID | MNXM119026 |
 |
| reference | chebi:72318 |
| formula | C35H58N4O24 |
| global charge | 0 |
| mol weight | 918.853 |
| InChIKey | NBHYMOCQNBSIKE-OOKHPHJMSA-N |
| InChI | InChI=1S/C35H58N4O24/c1-10(43)36-19-14(47)5-35(34(55)56,63-30(19)23(49)15(48)6-40)57-9-18-24(50)25(51)21(38-12(3)45)32(60-18)62-29-17(8-42)59-33(22(27(29)53)39-13(4)46)61-28-16(7-41)58-31(54)20(26(28)52)37-11(2)44/h14-33,40-42,47-54H,5-9H2,1-4H3,(H,36,43)(H,37,44)(H,38,45)(H,39,46)(H,55,56)/t14-,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31?,32-,33-,35+/m0/s1 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C35H58N4O24/c1-10(43)36-19-14(47)5-35(34(55)56,63-30(19)23(49)15(48)6-40)57-9-18-24(50)25(51)21(38-12(3)45)32(60-18)62-29-17(8-42)59-33(22(27(29)53)39-13(4)46)61-28-16(7-41)58-31(54)20(26(28)52)37-11(2)44/h14-33,40-42,47-54H,5-9H2,1-4H3,(H,36,43)(H,37,44)(H,38,45)(H,39,46)(H,55,56)/t14-,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31?,32-,33-,35+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:10](=[N:36][C@@H:19]1[C@@H:14]([OH:47])[CH2:5][C@@:35]([C:34](=[O:55])[OH:56])([O:57][CH2:9][C@@H:18]2[C@@H:24]([OH:50])[C@H:25]([OH:51])[C@@H:21]([N:38]=[C:12]([CH3:3])[OH:45])[C@H:32]([O:62][C@@H:29]3[C@@H:17]([CH2:8][OH:42])[O:59][C@@H:33]([O:61][C@@H:28]4[C@@H:16]([CH2:7][OH:41])[O:58][CH:31]([OH:54])[C@H:20]([N:37]=[C:11]([CH3:2])[OH:44])[C@H:26]4[OH:52])[C@H:22]([N:39]=[C:13]([CH3:4])[OH:46])[C@H:27]3[OH:53])[O:60]2)[O:63][C@H:30]1[C@@H:23]([C@@H:15]([CH2:6][OH:40])[OH:48])[OH:49])[OH:43] |
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