Details of Smiglaside A
IUPAC | [(2R,3R,4S,5S)-5-[(2R,3R,4R,5S,6R)-5-acetyloxy-6-(acetyloxymethyl)-3,4-dihydroxyoxan-2-yl]oxy-3-hydroxy-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-5-(hydroxymethyl)oxolan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
Canonical Smiles | CC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)COC(=O)C=CC3=CC(=C(C=C3)O)OC)O)OC(=O)C=CC4=CC(=C(C=C4)O)OC)CO)O)O)OC(=O)C |
Inchi | ZRDGSDOGCXGCQI-FVDAWXQDSA-N |
PubChem ID | 11614748 |
Smiles | COc1cc(C=CC(=O)OCC2OC(CO)(OC3OC(COC(C)=O)C(OC(C)=O)C(O)C3O)C(OC(=O)C=Cc3ccc(O)c(OC)c3)C2O)ccc1O |
Class | |
Super Class | |
Pathways |