Licoagrodin
TL;DR: Licoagrodin (CAS 325144-66-9) is a chemical compound with molecular formula C45H44O9 and molecular weight 728.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,9R,17S,18R,27S)-5,13,23-trihydroxy-27-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6,22-bis(3-methylbut-2-enyl)-8,10,26,28-tetraoxaheptacyclo[15.11.0.01,9.02,7.011,16.018,27.020,25]octacosa-2(7),3,5,11(16),12,14,20(25),21,23-nonaen-19-one
Also Known As: Licoagrodin, J1.465.658H, (1R,9R,17S,18R,27S)-5,13,23-trihydroxy-27-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6,22-bis(3-methylbut-2-enyl)-8,10,26,28-tetraoxaheptacyclo[15.11.0.01,9.02,7.011,16.018,27.020,25]octacosa-2(7),3,5,11(16),12,14,20(25),21,23-nonaen-19-one, beta-D-glucopyranoside, 2-methyl-4-oxo-4H-pyran-3-yl, 6-(4-carboxy-3-hydroxy-3-methylbutanoate), rel-(5aR,5bS,10aR,15bR,16aS)-2,8,13-trihydroxy-16a-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-3,12-bis(3-methylbut-2-en-1-yl)-5a,16a-dihydro-5H,5bH-[1]benzofuro[2,3-b]chromeno[3',2':4,5]furo[2,3-c]ch
| Molecular Formula | C45H44O9 |
|---|---|
| Molecular Weight | 728.30 g/mol |
| LogP | 9.6 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 728.2985 |
| Heavy Atoms | 54 |
| Complexity | 1490.0 |
Chemical Identifiers
| CAS Number | 325144-66-9 |
|---|---|
| SMILES | CC(=CCC1=CC2=C(C=C1O)O[C@]3([C@@H](C2=O)[C@H]4C5=C(C=C(C=C5)O)O[C@H]6[C@]4(O3)C7=C(O6)C(=C(C=C7)O)CC=C(C)C)C8=CC(=C(C=C8)O)CC=C(C)C)C |
| InChIKey | IUNNUKJWKPJUCQ-AHJAKLPMSA-N |
Product Overview
Licoagrodin (CAS 325144-66-9), with molecular formula C45H44O9 and molecular weight 728.30 g/mol. IUPAC: (1R,9R,17S,18R,27S)-5,13,23-trihydroxy-27-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6,22-bis(3-methylbut-2-enyl)-8,10,26,28-tetraoxaheptacyclo[15.11.0.01,9.02,7.011,16.018,27.020,25]octacosa-2(7),3,5,11(16),12,14,20(25),21,23-nonaen-19-one.
Chemical Property Profile of Licoagrodin
Property Insights of Licoagrodin
The XLogP value of 9.6 indicates that Licoagrodin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Licoagrodin. Following Lipinski's Rule of Five, Licoagrodin has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Licoagrodin?
The CAS number of Licoagrodin is 325144-66-9.
What is the molecular formula of Licoagrodin?
The molecular formula of Licoagrodin is C45H44O9.
What is the molecular weight of Licoagrodin?
The molecular weight of Licoagrodin is 728.30 g/mol.
Where can I buy Licoagrodin?
You can request a quote for Licoagrodin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Licoagrodin?
Yes, KEHONG BIO provides custom synthesis services for Licoagrodin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.