Lapathoside A
TL;DR: Lapathoside A (CAS 373646-49-2) is a chemical compound with molecular formula C50H50O21 and molecular weight 986.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,5S)-3-hydroxy-5-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxyoxolan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Also Known As: lapathoside A, J1.626.120C, ((2R,3R,4S,5S)-3-hydroxy-5-(((E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl)oxymethyl)-4-((E)-3-(4-hydroxyphenyl)prop-2-enoyl)oxy-5-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl)oxymethyl)oxan-2-yl)oxyoxolan-2-yl)methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate, [(2R,3R,4S,5S)-3-hydroxy-5-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxyoxolan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate, [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2S,3S,4R,5R)-4-hydroxy-2-({[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}methyl)-3-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-5-({[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxolan-2-yl]oxy}oxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
| Molecular Formula | C50H50O21 |
|---|---|
| Molecular Weight | 986.28 g/mol |
| LogP | 2.5012 |
| Topological Polar Surface Area | 313.19 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 19 |
| Exact Mass | 986.2845 |
| Heavy Atoms | 71 |
| Complexity | 2606.9172 |
Chemical Identifiers
| CAS Number | 373646-49-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)COC(=O)/C=C/C4=CC=C(C=C4)O)O)OC(=O)/C=C/C5=CC=C(C=C5)O)COC(=O)/C=C/C6=CC(=C(C=C6)O)OC)O)O)O)O |
Product Overview
Lapathoside A (CAS 373646-49-2), with molecular formula C50H50O21 and molecular weight 986.28 g/mol. IUPAC: [(2R,3R,4S,5S)-3-hydroxy-5-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxyoxolan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate.
Chemical Property Profile of Lapathoside A
Property Insights of Lapathoside A
The XLogP value of 2.5012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Lapathoside A. The TPSA of 313.19 Ų indicates high polarity, suggesting Lapathoside A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Lapathoside A has 8 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Lapathoside A?
The CAS number of Lapathoside A is 373646-49-2.
What is the molecular formula of Lapathoside A?
The molecular formula of Lapathoside A is C50H50O21.
What is the molecular weight of Lapathoside A?
The molecular weight of Lapathoside A is 986.28 g/mol.
Where can I buy Lapathoside A?
You can request a quote for Lapathoside A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lapathoside A?
Yes, KEHONG BIO provides custom synthesis services for Lapathoside A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.