Acospectoside A
TL;DR: Acospectoside A (CAS 36304-37-7) is a chemical compound with molecular formula C38H58O15 and molecular weight 754.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,3R,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-3-[(3S,4S,6S)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-1-yl] acetate
Also Known As: Acospectoside A, KST-1A4241, (1, A,3, A,5
| Molecular Formula | C38H58O15 |
|---|---|
| Molecular Weight | 754.38 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 220.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 754.37756 |
| Heavy Atoms | 53 |
| Complexity | 1410.0 |
Chemical Identifiers
| CAS Number | 36304-37-7 |
|---|---|
| SMILES | C[C@H]1C([C@H]([C@@H](C(O1)O[C@@H]2C[C@H]3CC[C@@H]4[C@@H]([C@]3([C@@H](C2)OC(=O)C)C)CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)OC)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O |
| InChIKey | HATHCGZLFZKPMV-JMKMTXIBSA-N |
Product Overview
Acospectoside A (CAS 36304-37-7), with molecular formula C38H58O15 and molecular weight 754.38 g/mol. IUPAC: [(1R,3R,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-3-[(3S,4S,6S)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-1-yl] acetate.
Chemical Property Profile of Acospectoside A
Property Insights of Acospectoside A
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acospectoside A. The TPSA of 220.0 Ų indicates high polarity, suggesting Acospectoside A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acospectoside A has 6 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acospectoside A?
The CAS number of Acospectoside A is 36304-37-7.
What is the molecular formula of Acospectoside A?
The molecular formula of Acospectoside A is C38H58O15.
What is the molecular weight of Acospectoside A?
The molecular weight of Acospectoside A is 754.38 g/mol.
Where can I buy Acospectoside A?
You can request a quote for Acospectoside A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acospectoside A?
Yes, KEHONG BIO provides custom synthesis services for Acospectoside A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.