511-07-9
Product Name:
(8alpha)-5'alpha-benzyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione
Formula:
C35H39N5O5
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COMPUTED DESCRIPTORS
| Molecular Weight | 609.7 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 609.29511936 g/mol |
| Monoisotopic Mass | 609.29511936 g/mol |
| Topological Polar Surface Area | 118 Ų |
| Heavy Atom Count | 45 |
| Formal Charge | 0 |
| Complexity | 1270 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| 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
Ergocristinine is a natural product found in Claviceps purpurea with data available.