(25S)-5beta-spirostan-3beta-yl beta-D-glucoside
TL;DR: (25S)-5beta-spirostan-3beta-yl beta-D-glucoside (CAS 14835-43-9) is a chemical compound with molecular formula C33H54O8 and molecular weight 578.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxane-3,4,5-triol
Also Known As: Asparagoside A, (25S)-5beta-spirostan-3beta-yl beta-D-glucoside, (25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside, (25S)-5beta-spirostan-3beta-yl beta-D-glucopyranoside, (25S)-5beta-spirostan-3beta-ol 3-O-beta-D- glucoside
| Molecular Formula | C33H54O8 |
|---|---|
| Molecular Weight | 578.38 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 578.3819 |
| Heavy Atoms | 41 |
| Complexity | 979.0 |
Chemical Identifiers
| CAS Number | 14835-43-9 |
|---|---|
| SMILES | C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)C)OC1 |
| InChIKey | ZNEIIZNXGCIAAL-TXUJEBAWSA-N |
Product Overview
(25S)-5beta-spirostan-3beta-yl beta-D-glucoside (CAS 14835-43-9), with molecular formula C33H54O8 and molecular weight 578.38 g/mol. IUPAC: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxane-3,4,5-triol.
Chemical Property Profile of (25S)-5beta-spirostan-3beta-yl beta-D-glucoside
Property Insights of (25S)-5beta-spirostan-3beta-yl beta-D-glucoside
The XLogP value of 4.9 indicates that (25S)-5beta-spirostan-3beta-yl beta-D-glucoside is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (25S)-5beta-spirostan-3beta-yl beta-D-glucoside. Following Lipinski's Rule of Five, (25S)-5beta-spirostan-3beta-yl beta-D-glucoside has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (25S)-5beta-spirostan-3beta-yl beta-D-glucoside?
The CAS number of (25S)-5beta-spirostan-3beta-yl beta-D-glucoside is 14835-43-9.
What is the molecular formula of (25S)-5beta-spirostan-3beta-yl beta-D-glucoside?
The molecular formula of (25S)-5beta-spirostan-3beta-yl beta-D-glucoside is C33H54O8.
What is the molecular weight of (25S)-5beta-spirostan-3beta-yl beta-D-glucoside?
The molecular weight of (25S)-5beta-spirostan-3beta-yl beta-D-glucoside is 578.38 g/mol.
Where can I buy (25S)-5beta-spirostan-3beta-yl beta-D-glucoside?
You can request a quote for (25S)-5beta-spirostan-3beta-yl beta-D-glucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (25S)-5beta-spirostan-3beta-yl beta-D-glucoside?
Yes, KEHONG BIO provides custom synthesis services for (25S)-5beta-spirostan-3beta-yl beta-D-glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.