Anchusoside 4
TL;DR: Anchusoside 4 (CAS 96304-76-6) is a chemical compound with molecular formula C36H58O10 and molecular weight 650.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4aR,6aS,6aS,6bR,9S,10R,12aR,14bR)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: Anchusoside 4, 21-(Hexopyranosyloxy)-3,23-dihydroxyolean-12-en-28-oic acid, 21-O-beta-D-Glucopyranosyl-3beta,21beta,23-trihydroxyolean-12-en-28-oic acid, (3R,4aR,6aS,6aS,6bR,9S,10R,12aR,14bR)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid, (5xi)-21alpha-(beta-D-Glucopyranosyloxy)-3alpha,24-dihydroxy-9beta,18alpha-olean-12-en-28-oic acid
| Molecular Formula | C36H58O10 |
|---|---|
| Molecular Weight | 650.40 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 650.403 |
| Heavy Atoms | 46 |
| Complexity | 1240.0 |
Chemical Identifiers
| CAS Number | 96304-76-6 |
|---|---|
| SMILES | C[C@]12CC[C@H]([C@](C1CC[C@@]3([C@H]2CC=C4[C@]3(CC[C@@]5([C@@H]4CC([C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)(C)C)C(=O)O)C)C)(C)CO)O |
| InChIKey | NZQYKLUUXPXSEM-BNZWWPDVSA-N |
Product Overview
Anchusoside 4 (CAS 96304-76-6), with molecular formula C36H58O10 and molecular weight 650.40 g/mol. IUPAC: (3R,4aR,6aS,6aS,6bR,9S,10R,12aR,14bR)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid.
Chemical Property Profile of Anchusoside 4
Property Insights of Anchusoside 4
The XLogP value of 3.9 indicates that Anchusoside 4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 177.0 Ų indicates high polarity, suggesting Anchusoside 4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Anchusoside 4 has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Anchusoside 4?
The CAS number of Anchusoside 4 is 96304-76-6.
What is the molecular formula of Anchusoside 4?
The molecular formula of Anchusoside 4 is C36H58O10.
What is the molecular weight of Anchusoside 4?
The molecular weight of Anchusoside 4 is 650.40 g/mol.
Where can I buy Anchusoside 4?
You can request a quote for Anchusoside 4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anchusoside 4?
Yes, KEHONG BIO provides custom synthesis services for Anchusoside 4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.