Licoricesaponin C2
TL;DR: Licoricesaponin C2 (CAS 118525-49-8) is a chemical compound with molecular formula C42H62O15 and molecular weight 806.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Licoricesaponin C2, Licorice saponin C2, Glycyrrhizin deriv., Saponin C2, from licorice, 11-DEOXO-11,13-GLYCYRRHIZINDIENE
| Molecular Formula | C42H62O15 |
|---|---|
| Molecular Weight | 806.41 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 250.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 7 |
| Exact Mass | 806.4089 |
| Heavy Atoms | 57 |
| Complexity | 1710.0 |
Chemical Identifiers
| CAS Number | 118525-49-8 |
|---|---|
| SMILES | C[C@]12CC[C@](CC1=C3C=C[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O |
| InChIKey | WPDHECQXVOACTR-KSHPUXFISA-N |
Product Overview
Licoricesaponin C2 (CAS 118525-49-8), with molecular formula C42H62O15 and molecular weight 806.41 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Licoricesaponin C2
Property Insights of Licoricesaponin C2
The XLogP value of 4.5 indicates that Licoricesaponin C2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 250.0 Ų indicates high polarity, suggesting Licoricesaponin C2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Licoricesaponin C2 has 8 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Licoricesaponin C2?
The CAS number of Licoricesaponin C2 is 118525-49-8.
What is the molecular formula of Licoricesaponin C2?
The molecular formula of Licoricesaponin C2 is C42H62O15.
What is the molecular weight of Licoricesaponin C2?
The molecular weight of Licoricesaponin C2 is 806.41 g/mol.
Where can I buy Licoricesaponin C2?
You can request a quote for Licoricesaponin C2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Licoricesaponin C2?
Yes, KEHONG BIO provides custom synthesis services for Licoricesaponin C2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.