Ducheside A
TL;DR: Ducheside A (CAS 176665-78-4) is a chemical compound with molecular formula C20H16O12 and molecular weight 448.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,14-dihydroxy-7-methoxy-13-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
Also Known As: Ducheside A, HY-N3787, 4-dimethylamino-1-cyclohexanone ethylene ketal, 3'-O-methyl-4-O-(beta-D-xylopyranosyl) ellagic acid, 3'-O-Methyl-ellagic acid-4- O-beta-D-xylopyranoside
| Molecular Formula | C20H16O12 |
|---|---|
| Molecular Weight | 448.06 g/mol |
| LogP | -0.272 |
| Topological Polar Surface Area | 189.26 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 3 |
| Exact Mass | 448.06418 |
| Heavy Atoms | 32 |
| Complexity | 1467.7899 |
Chemical Identifiers
| CAS Number | 176665-78-4 |
|---|---|
| SMILES | COC1=C(C=C2C3=C1OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O |
Product Overview
Ducheside A (CAS 176665-78-4), with molecular formula C20H16O12 and molecular weight 448.06 g/mol. IUPAC: 6,14-dihydroxy-7-methoxy-13-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione.
Chemical Property Profile of Ducheside A
Property Insights of Ducheside A
The XLogP value of -0.272 indicates that Ducheside A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 189.26 Ų indicates high polarity, suggesting Ducheside A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ducheside A has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ducheside A?
The CAS number of Ducheside A is 176665-78-4.
What is the molecular formula of Ducheside A?
The molecular formula of Ducheside A is C20H16O12.
What is the molecular weight of Ducheside A?
The molecular weight of Ducheside A is 448.06 g/mol.
Where can I buy Ducheside A?
You can request a quote for Ducheside A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ducheside A?
Yes, KEHONG BIO provides custom synthesis services for Ducheside A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.