Isobutrin

1-[2-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one

Also Known As: Isobutrin|(E)-1-[2-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one|1-[2-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one|5-{3-[4-(Hexopyranosyloxy)-2-hydroxyphenyl]-3-oxoprop-1-en-1-yl}-2-hydroxyphenyl hexopyranoside

Molecular Formula	C27H32O15
Molecular Weight	596.17413 g/mol
LogP	-2.6487
Topological Polar Surface Area	256.29 Ų
Hydrogen Bond Donors	10
Hydrogen Bond Acceptors	15
Rotatable Bonds	9
Exact Mass	596.17413
Monoisotopic Mass	596.17413
Heavy Atoms	42
Complexity	1264.0865

Chemical Identifiers

CAS Number	536-01-6
SMILES	C1=CC(=C(C=C1C=CC(=O)C2=C(C=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)O