Pennogenin tetraglycoside
TL;DR: Pennogenin tetraglycoside (CAS 82657-46-3) is a chemical compound with molecular formula C51H82O21 and molecular weight 1030.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-[6-[4,5-dihydroxy-6-(hydroxymethyl)-2-(8-hydroxy-5',7,10,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: Pennogenin tetraglycoside, 17-Hydroxy-12-methyl-16,22:22,26-diepoxy-18-norcholest-5-en-3-yl 6-deoxyhexopyranosyl-(1->4)-6-deoxyhexopyranosyl-(1->4)-6-deoxyhexopyranosyl-(1->2)hexopyranoside, 17-Hydroxy-12-methyl-16,22:22,27-diepoxy-18-norcholest-5-en-3-yl 6-deoxyhexopyranosyl-(1->4)-6-deoxyhexopyranosyl-(1->4)-6-deoxyhexopyranosyl-(1->2)hexopyranoside, 2-[6-[6-[4,5-Dihydroxy-6-(hydroxymethyl)-2-(8-hydroxy-5',7,10,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol, beta-D-Glucopyranoside, (3beta,25R)-17-hydroxyspirost-5-en-3-ylO-6-deoxy-alpha-L-mannopyranosyl-(1->4)-O-6-deoxy-alpha-L-mannopyranosyl-(1->4)-O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-
| Molecular Formula | C51H82O21 |
|---|---|
| Molecular Weight | 1030.53 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 315.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 9 |
| Exact Mass | 1030.5349 |
| Heavy Atoms | 72 |
| Complexity | 1930.0 |
Chemical Identifiers
| CAS Number | 82657-46-3 |
|---|---|
| SMILES | CC1CCC2(C(C3(C(O2)CC4C3C(CC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)C)OC9C(C(C(C(O9)C)OC2C(C(C(C(O2)C)O)O)O)O)O)O)O)C)C)O)C)OC1 |
| InChIKey | YKRQZFXQCWXNRR-UHFFFAOYSA-N |
Product Overview
Pennogenin tetraglycoside (CAS 82657-46-3), with molecular formula C51H82O21 and molecular weight 1030.53 g/mol. IUPAC: 2-[6-[6-[4,5-dihydroxy-6-(hydroxymethyl)-2-(8-hydroxy-5',7,10,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol.
Chemical Property Profile of Pennogenin tetraglycoside
Property Insights of Pennogenin tetraglycoside
The XLogP value of -0.4 indicates that Pennogenin tetraglycoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 315.0 Ų indicates high polarity, suggesting Pennogenin tetraglycoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pennogenin tetraglycoside has 11 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pennogenin tetraglycoside?
The CAS number of Pennogenin tetraglycoside is 82657-46-3.
What is the molecular formula of Pennogenin tetraglycoside?
The molecular formula of Pennogenin tetraglycoside is C51H82O21.
What is the molecular weight of Pennogenin tetraglycoside?
The molecular weight of Pennogenin tetraglycoside is 1030.53 g/mol.
Where can I buy Pennogenin tetraglycoside?
You can request a quote for Pennogenin tetraglycoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pennogenin tetraglycoside?
Yes, KEHONG BIO provides custom synthesis services for Pennogenin tetraglycoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.