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Homecas8006-25-5

8006-25-5

8006-25-5 structural image
Product Name: ERGTOXIN
Formula: C98H119N15O15
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COMPUTED DESCRIPTORS

Molecular Weight 519.6 g/mol
XLogP3 1
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 3
Exact Mass 519.24816917 g/mol
Monoisotopic Mass 519.24816917 g/mol
Topological Polar Surface Area 118 Ų
Heavy Atom Count 38
Formal Charge 0
Complexity 1100
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
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

Ergotoxine is a natural product found in Claviceps purpurea with data available.