Galloyloxypaeoniflorin
TL;DR: Galloyloxypaeoniflorin (CAS 145898-93-7) is a chemical compound with molecular formula C30H32O16 and molecular weight 648.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5R,6S)-3-[[(1R)-5,7-dioxatricyclo[4.2.1.03,9]nona-3,6(9)-dien-1-yl]oxy]-5,6-dihydroxy-4-methyl-1-[(3,4,5-trihydroxycyclohex-2-ene-1-carbonyl)oxymethyl]-2-oxabicyclo[2.2.1]heptan-3-yl]methyl 2,3,4-trihydroxybenzoate
Also Known As: Galloyloxypaeoniflorin, Galloyl-oxypaeoniflorin, Galloyloxy-paeoniflorin, [(3S,5R,6S)-3-[[(1R)-5,7-dioxatricyclo[4.2.1.03,9]nona-3,6(9)-dien-1-yl]oxy]-5,6-dihydroxy-4-methyl-1-[(3,4,5-trihydroxycyclohex-2-ene-1-carbonyl)oxymethyl]-2-oxabicyclo[2.2.1]heptan-3-yl]methyl 2,3,4-trihydroxybenzoate, ((3S,5R,6S)-3-(((1R)-5,7-dioxatricyclo(4.2.1.03,9)nona-3,6(9)-dien-1-yl)oxy)-5,6-dihydroxy-4-methyl-1-((3,4,5-trihydroxycyclohex-2-ene-1-carbonyl)oxymethyl)-2-oxabicyclo(2.2.1)heptan-3-yl)methyl 2,3,4-trihydroxybenzoate
| Molecular Formula | C30H32O16 |
|---|---|
| Molecular Weight | 648.17 g/mol |
| LogP | -0.2623 |
| Topological Polar Surface Area | 255.27 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 648.169 |
| Heavy Atoms | 46 |
| Complexity | 1649.0409 |
Chemical Identifiers
| CAS Number | 145898-93-7 |
|---|---|
| SMILES | CC12CC([C@H]([C@@H]1O)O)(O[C@@]2(COC(=O)C3=C(C(=C(C=C3)O)O)O)O[C@]45CC6=COC(=C64)OC5)COC(=O)C7CC(C(C(=C7)O)O)O |
Product Overview
Galloyloxypaeoniflorin (CAS 145898-93-7), with molecular formula C30H32O16 and molecular weight 648.17 g/mol. IUPAC: [(3S,5R,6S)-3-[[(1R)-5,7-dioxatricyclo[4.2.1.03,9]nona-3,6(9)-dien-1-yl]oxy]-5,6-dihydroxy-4-methyl-1-[(3,4,5-trihydroxycyclohex-2-ene-1-carbonyl)oxymethyl]-2-oxabicyclo[2.2.1]heptan-3-yl]methyl 2,3,4-trihydroxybenzoate.
Chemical Property Profile of Galloyloxypaeoniflorin
Property Insights of Galloyloxypaeoniflorin
The XLogP value of -0.2623 indicates that Galloyloxypaeoniflorin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 255.27 Ų indicates high polarity, suggesting Galloyloxypaeoniflorin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Galloyloxypaeoniflorin has 8 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Galloyloxypaeoniflorin?
The CAS number of Galloyloxypaeoniflorin is 145898-93-7.
What is the molecular formula of Galloyloxypaeoniflorin?
The molecular formula of Galloyloxypaeoniflorin is C30H32O16.
What is the molecular weight of Galloyloxypaeoniflorin?
The molecular weight of Galloyloxypaeoniflorin is 648.17 g/mol.
Where can I buy Galloyloxypaeoniflorin?
You can request a quote for Galloyloxypaeoniflorin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Galloyloxypaeoniflorin?
Yes, KEHONG BIO provides custom synthesis services for Galloyloxypaeoniflorin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.