穗花牡荆苷
TL;DR: 穗花牡荆苷 (CAS 11027-63-7) is a chemical compound with molecular formula C22H26O11 and molecular weight 466.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
穗花牡荆苷
[5-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate
Also Known As: Agnuside, Agnoside, Agnuside [M+H]+, [(1S,4aR,5S,7aS)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate, [5-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate
| Molecular Formula | C22H26O11 |
|---|---|
| Molecular Weight | 466.15 g/mol |
| LogP | -1.2312 |
| Topological Polar Surface Area | 175.37 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.14752 |
| Heavy Atoms | 33 |
| Complexity | 896.1081 |
Chemical Identifiers
| CAS Number | 11027-63-7 |
|---|---|
| SMILES | C1=COC(C2C1C(C=C2COC(=O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O |
Product Overview
穗花牡荆苷 (CAS 11027-63-7), with molecular formula C22H26O11 and molecular weight 466.15 g/mol. IUPAC: [5-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate.
Chemical Property Profile of 穗花牡荆苷
Property Insights of 穗花牡荆苷
The XLogP value of -1.2312 indicates that 穗花牡荆苷 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 175.37 Ų indicates high polarity, suggesting 穗花牡荆苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 穗花牡荆苷 has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 穗花牡荆苷?
The CAS number of 穗花牡荆苷 is 11027-63-7.
What is the molecular formula of 穗花牡荆苷?
The molecular formula of 穗花牡荆苷 is C22H26O11.
What is the molecular weight of 穗花牡荆苷?
The molecular weight of 穗花牡荆苷 is 466.15 g/mol.
Where can I buy 穗花牡荆苷?
You can request a quote for 穗花牡荆苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 穗花牡荆苷?
Yes, KEHONG BIO provides custom synthesis services for 穗花牡荆苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.