Dioscin
TL;DR: Dioscin (CAS 6093-80-7) 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.
2-[4-hydroxy-2-(hydroxymethyl)-6-(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-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: Dioscin, Tuberoside d(solanum), Dioscin [M+H]+, TUBEROSIDE D (SOLANUM), spirost-5-en-3-yl 6-deoxyhexopyranosyl-(1-
| 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 | 6093-80-7 |
|---|---|
| SMILES | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1 |
| InChIKey | VNONINPVFQTJOC-UHFFFAOYSA-N |
Product Overview
Dioscin (CAS 6093-80-7), with molecular formula C45H72O16 and molecular weight 868.48 g/mol. IUPAC: 2-[4-hydroxy-2-(hydroxymethyl)-6-(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-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol.
Chemical Property Profile of Dioscin
Property Insights of Dioscin
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dioscin. The TPSA of 236.0 Ų indicates high polarity, suggesting Dioscin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dioscin 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 Dioscin?
The CAS number of Dioscin is 6093-80-7.
What is the molecular formula of Dioscin?
The molecular formula of Dioscin is C45H72O16.
What is the molecular weight of Dioscin?
The molecular weight of Dioscin is 868.48 g/mol.
Where can I buy Dioscin?
You can request a quote for Dioscin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dioscin?
Yes, KEHONG BIO provides custom synthesis services for Dioscin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.