AC1L4FAC
2-(4-hydroxyphenyl)-7-methoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Also Known As: swertisin 5-O-beta-D-glucoside|Swertisin 5-O-beta-D-glucopyranoside|J2.407.170G|4H-1-Benzopyran-4-one, 6-beta-D-glucopyranosyl-5-(beta-D-glucopyranosyloxy)-2-(4-hydroxyphenyl)-7-methoxy-|6-beta-D-Glucopyranosyl-5-(beta-D-glucopyranosyloxy)-4 -hydroxy-7-methoxyflavone|(1S)-1,5-Anhydro-1-[5-(beta-D-glucopyranosyloxy)-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-1-benzopyran-6-yl]-D-glucitol|2-(4-hydroxyphenyl)-7-methoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one|2-(4-hydroxyphenyl)-7-methoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
| Molecular Formula | C28H32O15 |
|---|---|
| Molecular Weight | 608.17413 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 245.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 7 |
| Exact Mass | 608.17413 |
| Monoisotopic Mass | 608.17413 |
| Heavy Atoms | 43 |
| Complexity | 987.0 |
Chemical Identifiers
| CAS Number | 73051-75-9 |
|---|---|
| SMILES | COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O |
| InChIKey | KYPHSDLQACPEPC-OIKJNTNWSA-N |
Product Overview
AC1L4FAC (CAS 73051-75-9), with molecular formula C28H32O15 and molecular weight 608.17413 g/mol. IUPAC: 2-(4-hydroxyphenyl)-7-methoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one.