Hexandraside A
TL;DR: Hexandraside A (CAS 128988-53-4) is a chemical compound with molecular formula C39H50O20 and molecular weight 838.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Also Known As: Hexandraside A, Anhydroicaritin 3-galactosyl(1-3)rhamnoside-7-glucoside, 3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one, 3-((6-Deoxy-3-O-beta-D-galactopyranosyl-alpha-L-mannopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one, 2-(4-Methoxyphenyl)-5-hydroxy-8-(3-methyl-2-butenyl)-7-(beta-D-glucopyranosyloxy)-3-[3-O-(beta-D-galactopyranosyl)-alpha-L-rhamnopyranosyloxy]-4H-1-benzopyran-4-one
| Molecular Formula | C39H50O20 |
|---|---|
| Molecular Weight | 838.29 g/mol |
| LogP | -2.1079 |
| Topological Polar Surface Area | 317.35 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 12 |
| Exact Mass | 838.28955 |
| Heavy Atoms | 59 |
| Complexity | 1994.8109 |
Chemical Identifiers
| CAS Number | 128988-53-4 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)O)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O |
Product Overview
Hexandraside A (CAS 128988-53-4), with molecular formula C39H50O20 and molecular weight 838.29 g/mol. IUPAC: 3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one.
Chemical Property Profile of Hexandraside A
Property Insights of Hexandraside A
The XLogP value of -2.1079 indicates that Hexandraside A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 317.35 Ų indicates high polarity, suggesting Hexandraside A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hexandraside A has 11 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexandraside A?
The CAS number of Hexandraside A is 128988-53-4.
What is the molecular formula of Hexandraside A?
The molecular formula of Hexandraside A is C39H50O20.
What is the molecular weight of Hexandraside A?
The molecular weight of Hexandraside A is 838.29 g/mol.
Where can I buy Hexandraside A?
You can request a quote for Hexandraside A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexandraside A?
Yes, KEHONG BIO provides custom synthesis services for Hexandraside A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.