| Properties | Image |
|---|
| MNX_ID | MNXM2979 |
 |
| reference | chebi:63853 |
| formula | C20H35NO19S |
| global charge | 0 |
| mol weight | 625.555 |
| InChIKey | VFAZNUKPHBTWMU-DYAHILLTSA-N |
| InChI | InChI=1S/C20H35NO19S/c1-5(24)21-9-12(27)16(39-20-14(29)13(28)10(25)6(2-22)37-20)8(4-35-41(32,33)34)38-19(9)40-17-11(26)7(3-23)36-18(31)15(17)30/h6-20,22-23,25-31H,2-4H2,1H3,(H,21,24)(H,32,33,34)/t6-,7-,8-,9-,10+,11+,12-,13+,14-,15-,16-,17+,18?,19+,20+/m1/s1 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)OC(O)[C@@H]2O)O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C20H35NO19S/c1-5(24)21-9-12(27)16(39-20-14(29)13(28)10(25)6(2-22)37-20)8(4-35-41(32,33)34)38-19(9)40-17-11(26)7(3-23)36-18(31)15(17)30/h6-20,22-23,25-31H,2-4H2,1H3,(H,21,24)(H,32,33,34)/t6-,7-,8-,9-,10+,11+,12-,13+,14-,15-,16-,17+,18?,19+,20+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:5](=[N:21][C@@H:9]1[C@@H:12]([OH:27])[C@H:16]([O:39][C@H:20]2[C@H:14]([OH:29])[C@@H:13]([OH:28])[C@@H:10]([OH:25])[C@@H:6]([CH2:2][OH:22])[O:37]2)[C@@H:8]([CH2:4][O:35][S:41]([OH:32])(=[O:33])=[O:34])[O:38][C@H:19]1[O:40][C@H:17]1[C@@H:11]([OH:26])[C@@H:7]([CH2:3][OH:23])[O:36][CH:18]([OH:31])[C@@H:15]1[OH:30])[OH:24] |
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