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61358-52-9

61358-52-9 structural image
Product Name: multiflorin A
Formula: C29H32O16
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COMPUTED DESCRIPTORS

Molecular Weight 636.6 g/mol
XLogP3 -0.4
Hydrogen Bond Donor Count 8
Hydrogen Bond Acceptor Count 16
Rotatable Bond Count 8
Exact Mass 636.16903493 g/mol
Monoisotopic Mass 636.16903493 g/mol
Topological Polar Surface Area 251 Ų
Heavy Atom Count 45
Formal Charge 0
Complexity 1090
Isotope Atom Count 0
Defined Atom Stereocenter Count 10
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate is a natural product found in Rhamnus leptophylla, Macrothelypteris torresiana, and other organisms with data available.