Aspafilioside A
TL;DR: Aspafilioside A (CAS 72947-73-0) is a chemical compound with molecular formula C38H62O12 and molecular weight 710.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(4S,5'S,6R,7S,8R,9S,13S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol
Also Known As: Aspafilioside A, Spirostan-3-yl 4-O-pentopyranosylhexopyranoside, (2S,3R,4S,5R)-2-[(2R,3S,4R,5R,6R)-4,5-Dihydroxy-2-(hydroxymethyl)-6-[(4S,5'S,6R,7S,8R,9S,13S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol, Sarsasapogenin 3-O-beta-D-xylopyranosyl-(1-4)-beta-D-glucopyranoside, (8xi,9xi,14xi,25S)-Spirostan-3-yl 4-O-beta-D-xylopyranosyl-beta-D-glucopyranoside
| Molecular Formula | C38H62O12 |
|---|---|
| Molecular Weight | 710.42 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 710.42413 |
| Heavy Atoms | 50 |
| Complexity | 1220.0 |
Chemical Identifiers
| CAS Number | 72947-73-0 |
|---|---|
| SMILES | C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)CC4[C@@]3(CCC5C4CCC6[C@@]5(CCC(C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O)O)C)C)C)OC1 |
| InChIKey | SQWCZHHKSPFEOI-CYUDJFIFSA-N |
Product Overview
Aspafilioside A (CAS 72947-73-0), with molecular formula C38H62O12 and molecular weight 710.42 g/mol. IUPAC: (2S,3R,4S,5R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(4S,5'S,6R,7S,8R,9S,13S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol.
Chemical Property Profile of Aspafilioside A
Property Insights of Aspafilioside A
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aspafilioside A. The TPSA of 177.0 Ų indicates high polarity, suggesting Aspafilioside A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aspafilioside A has 6 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 Aspafilioside A?
The CAS number of Aspafilioside A is 72947-73-0.
What is the molecular formula of Aspafilioside A?
The molecular formula of Aspafilioside A is C38H62O12.
What is the molecular weight of Aspafilioside A?
The molecular weight of Aspafilioside A is 710.42 g/mol.
Where can I buy Aspafilioside A?
You can request a quote for Aspafilioside A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aspafilioside A?
Yes, KEHONG BIO provides custom synthesis services for Aspafilioside A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.