COMPUTED DESCRIPTORS
| Molecular Weight | 228.24 g/mol |
|---|---|
| XLogP3 | 0.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 228.09977361 g/mol |
| Monoisotopic Mass | 228.09977361 g/mol |
| Topological Polar Surface Area | 76 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 324 |
| 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
Loganetin is an iridoid monoterpenoid that is methyl (4aS,7aR)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate substituted at positions 1 and 6 by hydroxy groups and at postion 7 by a methyl group; the aglycone of loganin. It has a role as a plant metabolite and an antibacterial agent. It is a methyl ester, an iridoid monoterpenoid, a lactol, a cyclopentapyran, an enoate ester and a secondary alcohol.