174591-47-0
Product Name:
ethyl rosmarinate
Formula:
C20H20O8
Synonyms:
(αR)-α-[[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxy-benzenepropanoic acid ethyl ester;[R-(E)]-α-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3,4-dihydroxy-benzenepropanoic acid ethyl ester;Rosmarinic acid ethyl ester
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 388.4 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 9 |
| Exact Mass | 388.11581759 g/mol |
| Monoisotopic Mass | 388.11581759 g/mol |
| Topological Polar Surface Area | 134 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 548 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Ethyl rosmarinate is a natural product found in Lycopus asper, Glechoma hederacea, and other organisms with data available.