126054-77-1
Product Name:
(1S,3aβ,8aα)-1-Methyl-1α,4α-dihydroxy-4-(hydroxymethyl)-7β-[1-methyl-1-(β-D-glucopyranosyloxy)ethyl]decahydroazulene-2-one
Formula:
C21H36O10
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COMPUTED DESCRIPTORS
| Molecular Weight | 448.5 g/mol |
|---|---|
| XLogP3 | -2.2 |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 5 |
| Exact Mass | 448.23084734 g/mol |
| Monoisotopic Mass | 448.23084734 g/mol |
| Topological Polar Surface Area | 177 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 671 |
| 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
Atractyloside A is a terpene glycoside.