Sophoraflavoside III
TL;DR: Sophoraflavoside III (CAS 147666-62-4) is a chemical compound with molecular formula C53H84O24 and molecular weight 1104.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-9-(4,5,6-trihydroxyoxan-2-yl)oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[4,5-dihydroxy-6-(hydroxymethyl)-2-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxyoxan-3-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
Also Known As: Sophoraflavoside III, 6-[[11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-9-(4,5,6-trihydroxyoxan-2-yl)oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[4,5-dihydroxy-6-(hydroxymethyl)-2-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxyoxan-3-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid, 6-[[11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-9-(4,5,6-trihydroxyoxan-2-yl)oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[4,5-dihydroxy-6-(hydroxymethyl)-2-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxyoxan-3-yl]oxy-3,4-, 3-O-alpha-L-Rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranosyl oxytrogenin 22-O-alpha-L-arabinopyranoside
| Molecular Formula | C53H84O24 |
|---|---|
| Molecular Weight | 1104.54 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 391.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 12 |
| Exact Mass | 1104.5353 |
| Heavy Atoms | 77 |
| Complexity | 2190.0 |
Chemical Identifiers
| CAS Number | 147666-62-4 |
|---|---|
| SMILES | CC1C(C(C(C(O1)O)OC2C(C(C(C(O2)CO)O)O)OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8OC9CC(C(C(O9)O)O)O)(C)C(=O)O)C)C)C)C)C(=O)O)O)O)O)O |
| InChIKey | UZUDYISDRMHJQH-UHFFFAOYSA-N |
Product Overview
Sophoraflavoside III (CAS 147666-62-4), with molecular formula C53H84O24 and molecular weight 1104.54 g/mol. IUPAC: 6-[[11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-9-(4,5,6-trihydroxyoxan-2-yl)oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[4,5-dihydroxy-6-(hydroxymethyl)-2-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxyoxan-3-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Sophoraflavoside III
Property Insights of Sophoraflavoside III
The XLogP value of -0.2 indicates that Sophoraflavoside III is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 391.0 Ų indicates high polarity, suggesting Sophoraflavoside III may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sophoraflavoside III has 14 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sophoraflavoside III?
The CAS number of Sophoraflavoside III is 147666-62-4.
What is the molecular formula of Sophoraflavoside III?
The molecular formula of Sophoraflavoside III is C53H84O24.
What is the molecular weight of Sophoraflavoside III?
The molecular weight of Sophoraflavoside III is 1104.54 g/mol.
Where can I buy Sophoraflavoside III?
You can request a quote for Sophoraflavoside III directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sophoraflavoside III?
Yes, KEHONG BIO provides custom synthesis services for Sophoraflavoside III and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.