Details of Smiglaside B
| IUPAC | [(2R,3R,4S,5S)-5-[(2R,3R,4S,5S,6R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-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)OC1C(C(C(OC1OC2(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)CO)O)O |
| Inchi | XLHWVVGQWRFHPR-LCYVLNELSA-N |
| PubChem ID | 11629132 |
| Smiles | COc1cc(C=CC(=O)OCC2OC(CO)(OC3OC(CO)C(O)C(O)C3OC(C)=O)C(OC(=O)C=Cc3ccc(O)c(OC)c3)C2O)ccc1O |
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