薯蓣苷
TL;DR: 薯蓣苷 (CAS 19057-60-4) is a chemical compound with molecular formula C45H72O16 and molecular weight 868.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
薯蓣苷
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: Dioscin, Collettiside III, Dioscine, collettisideiii, Polyphyllin III
| Molecular Formula | C45H72O16 |
|---|---|
| Molecular Weight | 868.48 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 236.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 7 |
| Exact Mass | 868.48206 |
| Heavy Atoms | 61 |
| Complexity | 1600.0 |
Chemical Identifiers
| CAS Number | 19057-60-4 |
|---|---|
| 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=C6[C@@]5(CC[C@@H](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]([C@@H](O8)C)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)OC1 |
| InChIKey | VNONINPVFQTJOC-ZGXDEBHDSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
薯蓣苷 (CAS 19057-60-4), with molecular formula C45H72O16 and molecular weight 868.48 g/mol. IUPAC: (2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol.
Chemical Property Profile of 薯蓣苷
Property Insights of 薯蓣苷
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 薯蓣苷. The TPSA of 236.0 Ų indicates high polarity, suggesting 薯蓣苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 薯蓣苷 has 8 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 薯蓣苷?
The CAS number of 薯蓣苷 is 19057-60-4.
What is the molecular formula of 薯蓣苷?
The molecular formula of 薯蓣苷 is C45H72O16.
What is the molecular weight of 薯蓣苷?
The molecular weight of 薯蓣苷 is 868.48 g/mol.
Where can I buy 薯蓣苷?
You can request a quote for 薯蓣苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 薯蓣苷?
Yes, KEHONG BIO provides custom synthesis services for 薯蓣苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.