Apioglycyrrhizin
TL;DR: Apioglycyrrhizin (CAS 121709-66-8) is a chemical compound with molecular formula C41H62O14 and molecular weight 778.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl)oxy]-5-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
Also Known As: Apioglycyrrhizin, 3-O-(beta-D-Apiofuranosyl(1-2)-beta-D-glucuronopyranosyl)glycyrrhetic acid, 6-[(11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl)oxy]-5-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid, 29-hydroxy-11,29-dioxoolean-12-en-3-yl 2-o-[3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]hexopyranosiduronic acid, 29-Hydroxy-11,29-dioxoolean-12-en-3-yl 2-O-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]hexopyranosiduronic acid
| Molecular Formula | C41H62O14 |
|---|---|
| Molecular Weight | 778.41 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 230.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 778.41394 |
| Heavy Atoms | 55 |
| Complexity | 1610.0 |
Chemical Identifiers
| CAS Number | 121709-66-8 |
|---|---|
| SMILES | CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(CO5)(CO)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C |
| InChIKey | RETHOWGCGNZYSL-UHFFFAOYSA-N |
Product Overview
Apioglycyrrhizin (CAS 121709-66-8), with molecular formula C41H62O14 and molecular weight 778.41 g/mol. IUPAC: 6-[(11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl)oxy]-5-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Apioglycyrrhizin
Property Insights of Apioglycyrrhizin
The XLogP value of 3.9 indicates that Apioglycyrrhizin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 230.0 Ų indicates high polarity, suggesting Apioglycyrrhizin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Apioglycyrrhizin has 7 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Apioglycyrrhizin?
The CAS number of Apioglycyrrhizin is 121709-66-8.
What is the molecular formula of Apioglycyrrhizin?
The molecular formula of Apioglycyrrhizin is C41H62O14.
What is the molecular weight of Apioglycyrrhizin?
The molecular weight of Apioglycyrrhizin is 778.41 g/mol.
Where can I buy Apioglycyrrhizin?
You can request a quote for Apioglycyrrhizin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Apioglycyrrhizin?
Yes, KEHONG BIO provides custom synthesis services for Apioglycyrrhizin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.