Diosbulbinoside F
TL;DR: Diosbulbinoside F (CAS 66756-58-9) is a chemical compound with molecular formula C26H34O12 and molecular weight 538.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S,4aS,7R,9R,10aS,10bS)-2-(furan-3-yl)-9-hydroxy-10b-methyl-4-oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4a,5,7,8,9,10,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
Also Known As: Diosbulbinoside F, methyl (2S,4aS,7R,9R,10aS,10bS)-2-(furan-3-yl)-9-hydroxy-10b-methyl-4-oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4a,5,7,8,9,10,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate, (2S)-2beta-(3-Furyl)-6-(beta-D-glucopyranosyloxy)-1,4,4aalpha,5,7,8,9,10,10aalpha,10b-decahydro-9alpha-hydroxy-10bbeta-methyl-4-oxo-2H-naphtho[2,1-c]pyran-7alpha-carboxylic acid methyl ester, Methyl (2S,4aS,7R,9R,10aS,10bS)-2-(furan-3-yl)-6-(beta-D-glucopyranosyloxy)-9-hydroxy-10b-methyl-4-oxo-1,4,4a,5,7,8,9,10,10a,10b-decahydro-2H-naphtho[2,1-c]pyran-7-carboxylate, methyl (2S,4aS,7R,9R,10aS,10bS)-2-(furan-3-yl)-9-hydroxy-10b-methyl-4-oxo-6-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-2,4a,5,7,8,9,10,10a-octahydro-1H-benzo(f)isochromene-7-carboxylate
| Molecular Formula | C26H34O12 |
|---|---|
| Molecular Weight | 538.21 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 538.205 |
| Heavy Atoms | 38 |
| Complexity | 953.0 |
Chemical Identifiers
| CAS Number | 66756-58-9 |
|---|---|
| SMILES | C[C@@]12C[C@H](OC(=O)[C@H]1CC(=C3[C@H]2C[C@H](C[C@H]3C(=O)OC)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=COC=C5 |
| InChIKey | SVXOFPLAAYAGIG-NDDGLTBUSA-N |
Product Overview
Diosbulbinoside F (CAS 66756-58-9), with molecular formula C26H34O12 and molecular weight 538.21 g/mol. IUPAC: methyl (2S,4aS,7R,9R,10aS,10bS)-2-(furan-3-yl)-9-hydroxy-10b-methyl-4-oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4a,5,7,8,9,10,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate.
Chemical Property Profile of Diosbulbinoside F
Property Insights of Diosbulbinoside F
The XLogP value of -0.8 indicates that Diosbulbinoside F is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 185.0 Ų indicates high polarity, suggesting Diosbulbinoside F may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diosbulbinoside F has 5 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 Diosbulbinoside F?
The CAS number of Diosbulbinoside F is 66756-58-9.
What is the molecular formula of Diosbulbinoside F?
The molecular formula of Diosbulbinoside F is C26H34O12.
What is the molecular weight of Diosbulbinoside F?
The molecular weight of Diosbulbinoside F is 538.21 g/mol.
Where can I buy Diosbulbinoside F?
You can request a quote for Diosbulbinoside F directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diosbulbinoside F?
Yes, KEHONG BIO provides custom synthesis services for Diosbulbinoside F and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.