Salvianolic acid B

Chemical Information
Salvianolic acid B is a member of the class of 1-benzofurans that is an antioxidant and free radical scavenging compound extracted from S. miltiorrhiza. It has a role as an antioxidant, an antidepressant, a hypoglycemic agent, an antineoplastic agent, a hepatoprotective agent, an osteogenesis regulator, a neuroprotective agent, an anti-inflammatory agent, an apoptosis inducer, a plant metabolite, a cardioprotective agent and an autophagy inhibitor. It is a polyphenol, a member of catechols, a dicarboxylic acid, a member of 1-benzofurans and an enoate ester.
| CAS Number | 121521-90-2 |
| PubChem CID | 6451084 |
| IUPAC Name | (2R)-2-[(E)-3-[(2S,3S)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid |
| Molecular Formula | C36H30O16 |
| Molecular Weight | 718.6 |
| XLogP | 4 |
| Topological Polar Surface Area | 278 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 14 |
| Heavy Atom Count | 52 |
| Formal Charge | 0 |
| Complexity | 1290 |
| Property | Value |
|---|---|
| Molecular Weight | 718.6 |
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 14 |
| Exact Mass | 718.15338487 |
| Monoisotopic Mass | 718.15338487 |
| Topological Polar Surface Area | 278 Ų |
| Heavy Atom Count | 52 |
| Formal Charge | 0 |
| Complexity | 1290 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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