Anchusoside 11
TL;DR: Anchusoside 11 (CAS 138-58-9) is a chemical compound with molecular formula C47H76O19 and molecular weight 944.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4aR,6aR,6aS,6bR,9R,10S,12aR,14bR)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-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 11, KST-1A1242, (3, A,5xi,18, A,21
| Molecular Formula | C47H76O19 |
|---|---|
| Molecular Weight | 944.50 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 315.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 10 |
| Exact Mass | 944.4981 |
| Heavy Atoms | 66 |
| Complexity | 1800.0 |
Chemical Identifiers
| CAS Number | 138-58-9 |
|---|---|
| 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@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C)C(=O)O)C)C)(C)CO)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O |
| InChIKey | YCUZFJPDJDKSBF-KKDBNSICSA-N |
Product Overview
Anchusoside 11 (CAS 138-58-9), with molecular formula C47H76O19 and molecular weight 944.50 g/mol. IUPAC: (3S,4aR,6aR,6aS,6bR,9R,10S,12aR,14bR)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-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 11
Property Insights of Anchusoside 11
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Anchusoside 11. The TPSA of 315.0 Ų indicates high polarity, suggesting Anchusoside 11 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Anchusoside 11 has 12 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Anchusoside 11?
The CAS number of Anchusoside 11 is 138-58-9.
What is the molecular formula of Anchusoside 11?
The molecular formula of Anchusoside 11 is C47H76O19.
What is the molecular weight of Anchusoside 11?
The molecular weight of Anchusoside 11 is 944.50 g/mol.
Where can I buy Anchusoside 11?
You can request a quote for Anchusoside 11 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anchusoside 11?
Yes, KEHONG BIO provides custom synthesis services for Anchusoside 11 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.