Sarsaparilloside
TL;DR: Sarsaparilloside (CAS 24333-07-1) is a chemical compound with molecular formula C57H96O28 and molecular weight 1228.61 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-6-[[(1R,2S,4S,6R,7S,8R,9S,12S,13S,16S,18R)-6-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-yl]oxy]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: Sarsaparilloside, (2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-6-[[(1R,2S,4S,6R,7S,8R,9S,12S,13S,16S,18R)-6-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-yl]oxy]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol, beta-D-Glucopyranoside, (3beta,5beta,22alpha,25S)-26-(beta-D-glucopyranosyloxy)-22-hydroxyfurostan-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->4)-O-(beta-D-glucopyranosyl-(1->2))-O-(beta-D-glucopyranosyl-(1->6))-, (22R,25S)-26-(beta-D-Glucopyranosyloxy)-22-hydroxy-5beta-furostan-3beta-yl 6-deoxy-alpha-L-mannopyranosyl-(1->4)-[beta-D-glucopyranosyl-(1->2)]-[beta-D-glucopyranosyl-(1->6)]-beta-D-glucopyranoside, .BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,5.BETA.,22.ALPHA.,25S)-26-(.BETA.-D-GLUCOPYRANOSYLOXY)-22-HYDROXYFUROSTAN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->4)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->2))-O-(.BETA.-D-GLUCOPYRANOSYL-(1->6))-
| Molecular Formula | C57H96O28 |
|---|---|
| Molecular Weight | 1228.61 g/mol |
| LogP | -2.5 |
| Topological Polar Surface Area | 445.0 Ų |
| Hydrogen Bond Donors | 17 |
| Hydrogen Bond Acceptors | 28 |
| Rotatable Bonds | 18 |
| Exact Mass | 1228.6088 |
| Heavy Atoms | 85 |
| Complexity | 2180.0 |
Chemical Identifiers
| CAS Number | 24333-07-1 |
|---|---|
| SMILES | C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)C)C)O[C@@]1(CC[C@H](C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O |
| InChIKey | SUHZCFHVHYUSEP-UVSPAHOSSA-N |
Product Overview
Sarsaparilloside (CAS 24333-07-1), with molecular formula C57H96O28 and molecular weight 1228.61 g/mol. IUPAC: (2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-6-[[(1R,2S,4S,6R,7S,8R,9S,12S,13S,16S,18R)-6-hydroxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-yl]oxy]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol.
Chemical Property Profile of Sarsaparilloside
Property Insights of Sarsaparilloside
The XLogP value of -2.5 indicates that Sarsaparilloside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 445.0 Ų indicates high polarity, suggesting Sarsaparilloside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sarsaparilloside has 17 hydrogen bond donor(s) and 28 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sarsaparilloside?
The CAS number of Sarsaparilloside is 24333-07-1.
What is the molecular formula of Sarsaparilloside?
The molecular formula of Sarsaparilloside is C57H96O28.
What is the molecular weight of Sarsaparilloside?
The molecular weight of Sarsaparilloside is 1228.61 g/mol.
Where can I buy Sarsaparilloside?
You can request a quote for Sarsaparilloside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sarsaparilloside?
Yes, KEHONG BIO provides custom synthesis services for Sarsaparilloside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.