Details of Stachysoside C
| IUPAC | [(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| Canonical Smiles | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)OC)CO)OCCC4=CC(=C(C=C4)OC)O)O)O[C@H]5[C@@H]([C@H]([C@H](CO5)O)O)O)O)O |
| Inchi | ZIPURHYPGUGDEP-DQTDZZOCSA-N |
| PubChem ID | 101599921 |
| Smiles | COc1ccc(CCO[C@@H]2O[C@H](CO)[C@@H](OC(=O)C=Cc3ccc(O)c(OC)c3)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)cc1O |
| Class | Phenylpropanoids (C6-C3),Cinnamic acids and derivatives |
| Super Class | Phenylethanoids (C6-C2) |
| Pathways | Shikimates and Phenylpropanoids |
