| Properties | Image |
|---|
| MNX_ID | MNXM119033 |
 |
| reference | chebi:72464 |
| formula | C31H52N2O24 |
| global charge | 0 |
| mol weight | 836.747 |
| InChIKey | OAXQIWHZKQDLSC-NLFUWFABSA-N |
| InChI | InChI=1S/C31H52N2O24/c1-8-17(42)20(45)21(46)28(51-8)54-23-13(6-36)52-27(48)16(32-9(2)38)25(23)55-29-22(47)26(19(44)12(5-35)53-29)57-31(30(49)50)3-10(39)15(33-14(41)7-37)24(56-31)18(43)11(40)4-34/h8,10-13,15-29,34-37,39-40,42-48H,3-7H2,1-2H3,(H,32,38)(H,33,41)(H,49,50)/t8-,10-,11+,12+,13+,15+,16+,17+,18+,19-,20+,21-,22+,23+,24+,25+,26-,27+,28-,29-,31-/m0/s1 |
| SMILES | CC(=O)N[C@@H]1[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(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C31H52N2O24/c1-8-17(42)20(45)21(46)28(51-8)54-23-13(6-36)52-27(48)16(32-9(2)38)25(23)55-29-22(47)26(19(44)12(5-35)53-29)57-31(30(49)50)3-10(39)15(33-14(41)7-37)24(56-31)18(43)11(40)4-34/h8,10-13,15-29,34-37,39-40,42-48H,3-7H2,1-2H3,(H,32,38)(H,33,41)(H,49,50)/t8-,10-,11+,12+,13+,15+,16+,17+,18+,19-,20+,21-,22+,23+,24+,25+,26-,27+,28-,29-,31-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:8]1[C@@H:17]([OH:42])[C@@H:20]([OH:45])[C@H:21]([OH:46])[C@H:28]([O:54][C@@H:23]2[C@@H:13]([CH2:6][OH:36])[O:52][C@@H:27]([OH:48])[C@H:16]([N:32]=[C:9]([CH3:2])[OH:38])[C@H:25]2[O:55][C@H:29]2[C@H:22]([OH:47])[C@@H:26]([O:57][C@:31]3([C:30](=[O:49])[OH:50])[CH2:3][C@H:10]([OH:39])[C@@H:15]([N:33]=[C:14]([CH2:7][OH:37])[OH:41])[C@H:24]([C@@H:18]([C@@H:11]([CH2:4][OH:34])[OH:40])[OH:43])[O:56]3)[C@@H:19]([OH:44])[C@@H:12]([CH2:5][OH:35])[O:53]2)[O:51]1 |
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