Penstemonoside
TL;DR: Penstemonoside (CAS 85700-56-7) is a chemical compound with molecular formula C17H26O10 and molecular weight 390.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,4aR,5S,7S,7aS)-5-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
Also Known As: Penstemonoside, 6alpha-8-epidihydro-cornin, 6alpha-8-epidihydrocornin, methyl (1R,4aR,5S,7S,7aS)-5-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate, Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5-hydroxy-7-methyl-, methyl ester, (1S-(1alpha,4aalpha,5alpha,7beta,7aalpha))-
| Molecular Formula | C17H26O10 |
|---|---|
| Molecular Weight | 390.15 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.1526 |
| Heavy Atoms | 27 |
| Complexity | 580.0 |
Chemical Identifiers
| CAS Number | 85700-56-7 |
|---|---|
| SMILES | C[C@H]1C[C@@H]([C@@H]2[C@H]1[C@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O |
| InChIKey | MTMCJGRBRGDLOQ-QUYPTVEMSA-N |
Product Overview
Penstemonoside (CAS 85700-56-7), with molecular formula C17H26O10 and molecular weight 390.15 g/mol. IUPAC: methyl (1R,4aR,5S,7S,7aS)-5-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate.
Chemical Property Profile of Penstemonoside
Property Insights of Penstemonoside
The XLogP value of -1.4 indicates that Penstemonoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.0 Ų indicates high polarity, suggesting Penstemonoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Penstemonoside has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Penstemonoside?
The CAS number of Penstemonoside is 85700-56-7.
What is the molecular formula of Penstemonoside?
The molecular formula of Penstemonoside is C17H26O10.
What is the molecular weight of Penstemonoside?
The molecular weight of Penstemonoside is 390.15 g/mol.
Where can I buy Penstemonoside?
You can request a quote for Penstemonoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Penstemonoside?
Yes, KEHONG BIO provides custom synthesis services for Penstemonoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.