Sophoraflavoside II
TL;DR: Sophoraflavoside II (CAS 147540-80-5) is a chemical compound with molecular formula C48H76O20 and molecular weight 972.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[11-carboxy-9-hydroxy-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)-2-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxyoxan-3-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
Also Known As: Sophoraflavoside II, 6-[[11-carboxy-9-hydroxy-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)-2-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxyoxan-3-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid, Oxytrogenin 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranoside, 6-[[11-Carboxy-9-hydroxy-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)-2-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxyoxan-3-yl]oxy-3,4-dihydroxyoxane-2-carbox
| Molecular Formula | C48H76O20 |
|---|---|
| Molecular Weight | 972.49 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 332.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 10 |
| Exact Mass | 972.493 |
| Heavy Atoms | 68 |
| Complexity | 1920.0 |
Chemical Identifiers
| CAS Number | 147540-80-5 |
|---|---|
| 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(CC8O)(C)C(=O)O)C)C)C)C)C(=O)O)O)O)O)O |
| InChIKey | SJVKMVMKJONZFJ-UHFFFAOYSA-N |
Product Overview
Sophoraflavoside II (CAS 147540-80-5), with molecular formula C48H76O20 and molecular weight 972.49 g/mol. IUPAC: 6-[[11-carboxy-9-hydroxy-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)-2-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxyoxan-3-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Sophoraflavoside II
Property Insights of Sophoraflavoside II
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sophoraflavoside II. The TPSA of 332.0 Ų indicates high polarity, suggesting Sophoraflavoside II may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sophoraflavoside II has 12 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sophoraflavoside II?
The CAS number of Sophoraflavoside II is 147540-80-5.
What is the molecular formula of Sophoraflavoside II?
The molecular formula of Sophoraflavoside II is C48H76O20.
What is the molecular weight of Sophoraflavoside II?
The molecular weight of Sophoraflavoside II is 972.49 g/mol.
Where can I buy Sophoraflavoside II?
You can request a quote for Sophoraflavoside II directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sophoraflavoside II?
Yes, KEHONG BIO provides custom synthesis services for Sophoraflavoside II and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.