Sophoraflavoside IV
TL;DR: Sophoraflavoside IV (CAS 147666-63-5) is a chemical compound with molecular formula C59H94O29 and molecular weight 1266.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[11-carboxy-9-[4,5-dihydroxy-3-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]oxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
Also Known As: Sophoraflavoside IV, 6-[[11-carboxy-9-[4,5-dihydroxy-3-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]oxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-tr, 6-[[11-carboxy-9-[4,5-dihydroxy-3-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]oxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid, 3-O-alpha-L-Rhamnopyranosyl- (1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranosyl oxytrogenin 22-O-beta-D-glucopyranosyl-(1-2)-alpha-L-arabinopyranoside, beta-D-Glucopyranosiduronic acid, (3beta,4beta,20alpha,22beta)-20-carboxy-22-((2-O-beta-D-glucopyranosyl-alpha-L-arabinopyranosyl)oxy)-23-hydroxy-30-norolean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-beta-D-galactopyranosyl-(1-2)-
| Molecular Formula | C59H94O29 |
|---|---|
| Molecular Weight | 1266.59 g/mol |
| LogP | -3.9432 |
| Topological Polar Surface Area | 470.35 Ų |
| Hydrogen Bond Donors | 17 |
| Hydrogen Bond Acceptors | 27 |
| Rotatable Bonds | 15 |
| Exact Mass | 1266.5881 |
| Heavy Atoms | 88 |
| Complexity | 2514.9856 |
Chemical Identifiers
| CAS Number | 147666-63-5 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8OC9C(C(C(CO9)O)O)OC1C(C(C(OC1O)CO)O)O)(C)C(=O)O)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O |
Product Overview
Sophoraflavoside IV (CAS 147666-63-5), with molecular formula C59H94O29 and molecular weight 1266.59 g/mol. IUPAC: 6-[[11-carboxy-9-[4,5-dihydroxy-3-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]oxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Sophoraflavoside IV
Property Insights of Sophoraflavoside IV
The XLogP value of -3.9432 indicates that Sophoraflavoside IV is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 470.35 Ų indicates high polarity, suggesting Sophoraflavoside IV may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sophoraflavoside IV has 17 hydrogen bond donor(s) and 27 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sophoraflavoside IV?
The CAS number of Sophoraflavoside IV is 147666-63-5.
What is the molecular formula of Sophoraflavoside IV?
The molecular formula of Sophoraflavoside IV is C59H94O29.
What is the molecular weight of Sophoraflavoside IV?
The molecular weight of Sophoraflavoside IV is 1266.59 g/mol.
Where can I buy Sophoraflavoside IV?
You can request a quote for Sophoraflavoside IV directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sophoraflavoside IV?
Yes, KEHONG BIO provides custom synthesis services for Sophoraflavoside IV and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.