Licoagroside B
TL;DR: Licoagroside B (CAS 325144-72-7) is a chemical compound with molecular formula C18H24O12 and molecular weight 432.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R)-3-hydroxy-3-methyl-5-oxo-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-methyl-4-oxopyran-3-yl)oxyoxan-2-yl]methoxy]pentanoic acid
Also Known As: Licoagroside B, (3R)-3-hydroxy-3-methyl-5-oxo-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-methyl-4-oxopyran-3-yl)oxyoxan-2-yl]methoxy]pentanoic acid, (R)-3-Hydroxy-3-methyl-5-oxo-5-(((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((2-methyl-4-oxo-4H-pyran-3-yl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)pentanoic acid, 2-Methyl-4-oxo-4H-pyran-3-yl 6-O-[(3R)-4-carboxy-3-hydroxy-3-methylbutanoyl]-beta-D-glucopyranoside, 3-[[6-O-[(3R)-4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl]-I(2)-D-glucopyranosyl]oxy]-2-methyl-4H-pyran-4-one
| Molecular Formula | C18H24O12 |
|---|---|
| Molecular Weight | 432.13 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 432.12677 |
| Heavy Atoms | 30 |
| Complexity | 743.0 |
Chemical Identifiers
| CAS Number | 325144-72-7 |
|---|---|
| SMILES | CC1=C(C(=O)C=CO1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C[C@@](C)(CC(=O)O)O)O)O)O |
| InChIKey | WCVUIHQUPRXYKT-XUGHYYTGSA-N |
Product Overview
Licoagroside B (CAS 325144-72-7), with molecular formula C18H24O12 and molecular weight 432.13 g/mol. IUPAC: (3R)-3-hydroxy-3-methyl-5-oxo-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-methyl-4-oxopyran-3-yl)oxyoxan-2-yl]methoxy]pentanoic acid.
Chemical Property Profile of Licoagroside B
Property Insights of Licoagroside B
The XLogP value of -2.4 indicates that Licoagroside B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 189.0 Ų indicates high polarity, suggesting Licoagroside B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Licoagroside B 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 Licoagroside B?
The CAS number of Licoagroside B is 325144-72-7.
What is the molecular formula of Licoagroside B?
The molecular formula of Licoagroside B is C18H24O12.
What is the molecular weight of Licoagroside B?
The molecular weight of Licoagroside B is 432.13 g/mol.
Where can I buy Licoagroside B?
You can request a quote for Licoagroside B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Licoagroside B?
Yes, KEHONG BIO provides custom synthesis services for Licoagroside B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.