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120566-91-8

120566-91-8 structural image
Product Name: spinosine
Formula: C19H21NO4
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COMPUTED DESCRIPTORS

Molecular Weight 327.4 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 327.14705815 g/mol
Monoisotopic Mass 327.14705815 g/mol
Topological Polar Surface Area 62.2 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 447
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

2,3-Dimethoxy-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-10,11-diol is a natural product found in Annona squamosa with data available.