57420-46-9
Product Name:
8-O-acetyl shanzhiside methyl ester
Formula:
C19H28O12
Synonyms:
Barlerin;Umbroside
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COMPUTED DESCRIPTORS
| Molecular Weight | 448.4 g/mol |
|---|---|
| XLogP3 | -2 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 7 |
| Exact Mass | 448.15807632 g/mol |
| Monoisotopic Mass | 448.15807632 g/mol |
| Topological Polar Surface Area | 181 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 725 |
| 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
8-O-Acetyl shanzhiside methyl ester is a natural product found in Barleria lupulina, Phlomoides umbrosa, and other organisms with data available.