Mycoside A
TL;DR: Mycoside A (CAS 12041-97-3) is a chemical compound with molecular formula C128H236O22 and molecular weight 2125.73 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[29-[4-[4-[4-[5-acetyloxy-4-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-3-methoxy-6-methyloxan-2-yl]oxy-5-hydroxy-3-methoxy-6-methyloxan-2-yl]oxy-3,5-dimethoxy-6-methyloxan-2-yl]oxyphenyl]-3-methoxy-4-methyl-9-(2,4,6,8-tetramethylhexacosanoyloxy)nonacosan-11-yl] 2,4,6,8-tetramethylhexacosanoate
Also Known As: Mycoside A, KST-1A0891, [21-[4-[4-[4-[5-acetoxy-4-(4-hydroxy-5-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-3-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-5-hydroxy-3-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-3,5-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxyphenyl]-1-(6-methoxy-5-methyl-octyl)-3-(2,4,6,8-tetramethylhexacosanoyloxy)henicosyl] 2,4,6,8-tetramethylhexacosanoate, [29-[4-[4-[4-[5-acetyloxy-4-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-3-methoxy-6-methyloxan-2-yl]oxy-5-hydroxy-3-methoxy-6-methyloxan-2-yl]oxy-3,5-dimethoxy-6-methyloxan-2-yl]oxyphenyl]-3-methoxy-4-methyl-9-(2,4,6,8-tetramethylhexacosanoyloxy)nonacosan-11-yl] 2,4,6,8-tetramethylhexacosanoate, 2,6-Dideoxy-4-O-methyl-arabino-hexopyranosyl(1-3)-2-O-methyl-4-O-acetylfucopyranosyl(1-3)-2-O-methylrhamnopyranosyl(1-3)-2,4-di-O-methylrhamnopyranosyl-1-phenolglycol
| Molecular Formula | C128H236O22 |
|---|---|
| Molecular Weight | 2125.73 g/mol |
| LogP | 41.9 |
| Topological Polar Surface Area | 249.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 96 |
| Exact Mass | 2125.7349 |
| Heavy Atoms | 150 |
| Complexity | 3180.0 |
Chemical Identifiers
| CAS Number | 12041-97-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCC(C)CC(C)CC(C)CC(C)C(=O)OC(CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)OC2C(C(C(C(O2)C)OC)OC3C(C(C(C(O3)C)O)OC4C(C(C(C(O4)C)OC(=O)C)OC5CC(C(C(O5)C)OC)O)OC)OC)OC)CC(CCCCC(C)C(CC)OC)OC(=O)C(C)CC(C)CC(C)CC(C)CCCCCCCCCCCCCCCCCC |
| InChIKey | HYOPMROXJWYMEG-UHFFFAOYSA-N |
Product Overview
Mycoside A (CAS 12041-97-3), with molecular formula C128H236O22 and molecular weight 2125.73 g/mol. IUPAC: [29-[4-[4-[4-[5-acetyloxy-4-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-3-methoxy-6-methyloxan-2-yl]oxy-5-hydroxy-3-methoxy-6-methyloxan-2-yl]oxy-3,5-dimethoxy-6-methyloxan-2-yl]oxyphenyl]-3-methoxy-4-methyl-9-(2,4,6,8-tetramethylhexacosanoyloxy)nonacosan-11-yl] 2,4,6,8-tetramethylhexacosanoate.
Chemical Property Profile of Mycoside A
Property Insights of Mycoside A
The XLogP value of 41.9 indicates that Mycoside A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 249.0 Ų indicates high polarity, suggesting Mycoside A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mycoside A has 2 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mycoside A?
The CAS number of Mycoside A is 12041-97-3.
What is the molecular formula of Mycoside A?
The molecular formula of Mycoside A is C128H236O22.
What is the molecular weight of Mycoside A?
The molecular weight of Mycoside A is 2125.73 g/mol.
Where can I buy Mycoside A?
You can request a quote for Mycoside A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mycoside A?
Yes, KEHONG BIO provides custom synthesis services for Mycoside A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.