Araboglycyrrhizin
TL;DR: Araboglycyrrhizin (CAS 14354-91-7) 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]-3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid
Also Known As: Araboglycyrrhizin, 29-hydroxy-11,29-dioxoolean-12-en-3-yl 2-o-pentopyranosylhexopyranosiduronic acid, 3-O-(alpha-L-Arabinopyranosyl(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]-3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid
| Molecular Formula | C41H62O14 |
|---|---|
| Molecular Weight | 778.41 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 230.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 6 |
| Exact Mass | 778.41394 |
| Heavy Atoms | 55 |
| Complexity | 1600.0 |
Chemical Identifiers
| CAS Number | 14354-91-7 |
|---|---|
| SMILES | CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(CO5)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C |
| InChIKey | DTMJARJUCFBMFR-UHFFFAOYSA-N |
Product Overview
Araboglycyrrhizin (CAS 14354-91-7), 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]-3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid.
Chemical Property Profile of Araboglycyrrhizin
Property Insights of Araboglycyrrhizin
The XLogP value of 3.5 indicates that Araboglycyrrhizin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 230.0 Ų indicates high polarity, suggesting Araboglycyrrhizin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Araboglycyrrhizin 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 Araboglycyrrhizin?
The CAS number of Araboglycyrrhizin is 14354-91-7.
What is the molecular formula of Araboglycyrrhizin?
The molecular formula of Araboglycyrrhizin is C41H62O14.
What is the molecular weight of Araboglycyrrhizin?
The molecular weight of Araboglycyrrhizin is 778.41 g/mol.
Where can I buy Araboglycyrrhizin?
You can request a quote for Araboglycyrrhizin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Araboglycyrrhizin?
Yes, KEHONG BIO provides custom synthesis services for Araboglycyrrhizin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.