Nemorososide
TL;DR: Nemorososide (CAS 85802-36-4) is a chemical compound with molecular formula C25H38O11 and molecular weight 514.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,4aR,5R,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] (2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoate
Also Known As: Nemorososide, beta-D-Glucopyranoside, (1S,4aR,5R,7S,7aS)-1,4a,5,6,7,7a-hexahydro-7-hydroxy-5-(((2E,6E)-8-hydroxy-2,6-dimethyl-1-oxo-2,6-octadienyl)oxy)-7-methylcyclopenta(c)pyran-1-yl, [(1S,4aR,5R,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] (2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoate
| Molecular Formula | C25H38O11 |
|---|---|
| Molecular Weight | 514.24 g/mol |
| LogP | -0.3631 |
| Topological Polar Surface Area | 175.37 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 514.2414 |
| Heavy Atoms | 36 |
| Complexity | 848.94354 |
Chemical Identifiers
| CAS Number | 85802-36-4 |
|---|---|
| SMILES | C/C(=C\CO)/CC/C=C(\C)/C(=O)O[C@@H]1C[C@]([C@@H]2[C@H]1C=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)(C)O |
Product Overview
Nemorososide (CAS 85802-36-4), with molecular formula C25H38O11 and molecular weight 514.24 g/mol. IUPAC: [(1S,4aR,5R,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] (2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoate.
Chemical Property Profile of Nemorososide
Property Insights of Nemorososide
The XLogP value of -0.3631 indicates that Nemorososide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 175.37 Ų indicates high polarity, suggesting Nemorososide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nemorososide has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nemorososide?
The CAS number of Nemorososide is 85802-36-4.
What is the molecular formula of Nemorososide?
The molecular formula of Nemorososide is C25H38O11.
What is the molecular weight of Nemorososide?
The molecular weight of Nemorososide is 514.24 g/mol.
Where can I buy Nemorososide?
You can request a quote for Nemorososide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nemorososide?
Yes, KEHONG BIO provides custom synthesis services for Nemorososide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.