Details of PEDICULARIOSIDE I
| IUPAC | [(2R,3R,4R,5R,6R)-5-hydroxy-6-[2-(4-hydroxy-3-methoxyphenyl)ethoxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| Canonical Smiles | CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(CO3)O)O)O)COC(=O)C=CC4=CC(=C(C=C4)O)OC)OCCC5=CC(=C(C=C5)O)OC)O)O)O)O |
| Inchi | QKSDWGRVKWJPQJ-DQTDZZOCSA-N |
| PubChem ID | 101632067 |
| Smiles | COc1cc(C=CC(=O)OCC2OC(OCCc3ccc(O)c(OC)c3)C(O)C(OC3OC(C)C(O)C(O)C3O)C2OC2OCC(O)C(O)C2O)ccc1O |
| Class | Phenylpropanoids (C6-C3),Cinnamic acids and derivatives, Phenylethanoids |
| Super Class | Phenylethanoids (C6-C2) |
| Pathways | Shikimates and Phenylpropanoids |