Pondraneoside
TL;DR: Pondraneoside (CAS 83459-43-2) is a chemical compound with molecular formula C25H30O12 and molecular weight 522.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,4aR,6S,7R,7aS)-4-formyl-4a,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-6-yl] (E)-3-phenylprop-2-enoate
Also Known As: Pondraneoside, 2-Propenoic acid, 3-phenyl-, (1S,4aR,6S,7R,7aS)-4-formyl-1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,7-dihydroxy-7-methylcyclopenta(c)pyran-6-yl ester, (2E)-, (1S,4aR,6S,7R,7aS)-4-Formyl-1-(I(2)-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,7-dihydroxy-7-methylcyclopenta[c]pyran-6-yl (2E)-3-phenyl-2-propenoate, [(1S,4aR,6S,7R,7aS)-4-formyl-4a,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-6-yl] (E)-3-phenylprop-2-enoate
| Molecular Formula | C25H30O12 |
|---|---|
| Molecular Weight | 522.17 g/mol |
| LogP | -1.6308 |
| Topological Polar Surface Area | 192.44 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 522.1737 |
| Heavy Atoms | 37 |
| Complexity | 1037.3676 |
Chemical Identifiers
| CAS Number | 83459-43-2 |
|---|---|
| SMILES | C[C@@]1([C@H](C[C@]2([C@@H]1[C@@H](OC=C2C=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)OC(=O)/C=C/C4=CC=CC=C4)O |
Product Overview
Pondraneoside (CAS 83459-43-2), with molecular formula C25H30O12 and molecular weight 522.17 g/mol. IUPAC: [(1S,4aR,6S,7R,7aS)-4-formyl-4a,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-6-yl] (E)-3-phenylprop-2-enoate.
Chemical Property Profile of Pondraneoside
Property Insights of Pondraneoside
The XLogP value of -1.6308 indicates that Pondraneoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 192.44 Ų indicates high polarity, suggesting Pondraneoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pondraneoside has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pondraneoside?
The CAS number of Pondraneoside is 83459-43-2.
What is the molecular formula of Pondraneoside?
The molecular formula of Pondraneoside is C25H30O12.
What is the molecular weight of Pondraneoside?
The molecular weight of Pondraneoside is 522.17 g/mol.
Where can I buy Pondraneoside?
You can request a quote for Pondraneoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pondraneoside?
Yes, KEHONG BIO provides custom synthesis services for Pondraneoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.