| Properties | Image |
|---|
| MNX_ID | MNXM12443 |
 |
| reference | metacycM:CPD-13446 |
| formula | C24H36O25S2 |
| global charge | -2 |
| mol weight | 788.661 |
| InChIKey | PPWBJIYNGRTPNY-SAEYTFRYSA-L |
| InChI | InChI=1S/C24H38O25S2/c25-1-5-15(48-50(33,34)35)19(10(28)21(32)41-5)46-23-12(30)18-14(8(44-23)4-40-18)45-24-13(31)20(16(6(2-26)42-24)49-51(36,37)38)47-22-11(29)17-9(27)7(43-22)3-39-17/h5-32H,1-4H2,(H,33,34,35)(H,36,37,38)/p-2/t5-,6-,7-,8-,9+,10-,11-,12-,13-,14+,15+,16+,17+,18-,19-,20-,21?,22-,23-,24+/m1/s1 |
| SMILES | O=S(=O)([O-])O[C@@H]1[C@H](O[C@H]2O[C@@H]3CO[C@@H]([C@H]3O)[C@H]2O)[C@@H](O)[C@H](O[C@@H]2[C@@H]3OC[C@H]2O[C@H](O[C@H]2[C@@H](OS(=O)(=O)[O-])[C@@H](CO)OC(O)[C@@H]2O)[C@@H]3O)O[C@@H]1CO |
MNX internals
| InChI (mnx) | InChI=1/C24H38O25S2/c25-1-5-15(48-50(33,34)35)19(10(28)21(32)41-5)46-23-12(30)18-14(8(44-23)4-40-18)45-24-13(31)20(16(6(2-26)42-24)49-51(36,37)38)47-22-11(29)17-9(27)7(43-22)3-39-17/h5-32H,1-4H2,(H,33,34,35)(H,36,37,38)/t5-,6-,7-,8-,9+,10-,11-,12-,13-,14+,15+,16+,17+,18-,19-,20-,21?,22-,23-,24+/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]([C@@H:5]1[C@H:15]([O:48][S:50]([OH:33])(=[O:34])=[O:35])[C@H:19]([O:46][C@@H:23]2[C@H:12]([OH:30])[C@@H:18]3[C@@H:14]([O:45][C@H:24]4[C@H:13]([OH:31])[C@@H:20]([O:47][C@@H:22]5[C@H:11]([OH:29])[C@@H:17]6[C@@H:9]([OH:27])[C@@H:7]([CH2:3][O:39]6)[O:43]5)[C@@H:16]([O:49][S:51]([OH:36])(=[O:37])=[O:38])[C@@H:6]([CH2:2][OH:26])[O:42]4)[C@@H:8]([CH2:4][O:40]3)[O:44]2)[C@@H:10]([OH:28])[CH:21]([OH:32])[O:41]1)[OH:25] |
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