Isorhoifolin
5-hydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
Also Known As: Isorhoifolin|Apigenin-7-O-neohesperidoside|5-hydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one|4H-1-Benzopyran-4-one,7-[[6-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-|5-Hydroxy-2-(4-hydroxyphenyl)-7-(4,5,6-trihydroxy-3-((4,5,6-trihydroxy-3-methyl(2-oxanyloxy))methyl)(2-oxanyloxy))-4H-chromen-4-one|5-hydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
| Molecular Formula | C27H30O14 |
|---|---|
| Molecular Weight | 578.1636 g/mol |
| LogP | -1.0983 |
| Topological Polar Surface Area | 228.97 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 6 |
| Exact Mass | 578.1636 |
| Monoisotopic Mass | 578.1636 |
| Heavy Atoms | 41 |
| Complexity | 1424.0205 |
Chemical Identifiers
| CAS Number | 552-57-8 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)O)O)O)O)O)O |
Product Overview
Isorhoifolin (CAS 552-57-8), with molecular formula C27H30O14 and molecular weight 578.1636 g/mol. IUPAC: 5-hydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one.