Ginnalin A
TL;DR: Ginnalin A (CAS 76746-56-0) is a chemical compound with molecular formula C20H20O13 and molecular weight 468.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4S,5S)-3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Also Known As: GINNALIN A, Aceritannin, Acertannin, Aceritannin, >=85% (LC/MS-UV), SID:385448884
| Molecular Formula | C20H20O13 |
|---|---|
| Molecular Weight | 468.09 g/mol |
| LogP | -0.5768 |
| Topological Polar Surface Area | 223.67 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 5 |
| Exact Mass | 468.0904 |
| Heavy Atoms | 33 |
| Complexity | 1017.91 |
Chemical Identifiers
| CAS Number | 76746-56-0 |
|---|---|
| SMILES | C1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C2=CC(=C(C(=C2)O)O)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O |
Product Overview
Ginnalin A (CAS 76746-56-0), with molecular formula C20H20O13 and molecular weight 468.09 g/mol. IUPAC: [(2R,3S,4S,5S)-3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate.
Chemical Property Profile of Ginnalin A
Property Insights of Ginnalin A
The XLogP value of -0.5768 indicates that Ginnalin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 223.67 Ų indicates high polarity, suggesting Ginnalin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ginnalin A has 8 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ginnalin A?
The CAS number of Ginnalin A is 76746-56-0.
What is the molecular formula of Ginnalin A?
The molecular formula of Ginnalin A is C20H20O13.
What is the molecular weight of Ginnalin A?
The molecular weight of Ginnalin A is 468.09 g/mol.
Where can I buy Ginnalin A?
You can request a quote for Ginnalin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ginnalin A?
Yes, KEHONG BIO provides custom synthesis services for Ginnalin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.