Details of Cascaroside A
| IUPAC | (10S)-1-hydroxy-3-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-9-one |
| Canonical Smiles | C1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C([C@H]2[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C=C(C=C4O)CO |
| Inchi | MNAYRSRTNMVAPR-ZHVWOXMGSA-N |
| PubChem ID | 442727 |
| Smiles | OCc1cc(O)c2c(O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc3c(C3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2c1 |
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| Class | Anthraquinones and anthrones |
| Super Class | Polycyclic aromatic polyketides |
| Pathways | Polyketides |