Caloporoside
TL;DR: Caloporoside (CAS 160471-36-3) is a chemical compound with molecular formula C40H64O17 and molecular weight 816.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(17S,18S,19S,20R)-17-acetyloxy-20-[(2S,3S,4S,5S,6R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-carboxy-18,19,21-trihydroxy-16-methylhenicosyl]-6-hydroxybenzoic acid
Also Known As: Caloporoside, 2-[(17S,18S,19S,20R)-17-acetyloxy-20-[(2S,3S,4S,5S,6R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-carboxy-18,19,21-trihydroxy-16-methylhenicosyl]-6-hydroxybenzoic acid, 2-O-Acetyl-5-O-(2-O-acetyl-beta-D-mannopyranosyl)-2-C-[17-(2-carboxy-3-hydroxyphenyl)heptadecan-2-yl]-D-mannonic acid, 2-O-Acetyl-5-O-(2-O-acetylhexopyranosyl)-2-C-[17-(2-carboxy-3-hydroxyphenyl)heptadecan-2-yl]hexonic acid, D-Mannonic acid, 5-O-(2-O-acetyl-beta-D-mannopyranosyl)-, 16-(2-carboxy-3-hydroxyphenyl)-1-methylhexadecyl ester, 2-acetate, (R)-
| Molecular Formula | C40H64O17 |
|---|---|
| Molecular Weight | 816.41 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 287.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 30 |
| Exact Mass | 816.41437 |
| Heavy Atoms | 57 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 160471-36-3 |
|---|---|
| SMILES | CC(CCCCCCCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O)[C@]([C@H]([C@@H]([C@@H](CO)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)OC(=O)C)O)O)(C(=O)O)OC(=O)C |
| InChIKey | BRQJNWFMGNHEQO-LYJPMCOASA-N |
Product Overview
Caloporoside (CAS 160471-36-3), with molecular formula C40H64O17 and molecular weight 816.41 g/mol. IUPAC: 2-[(17S,18S,19S,20R)-17-acetyloxy-20-[(2S,3S,4S,5S,6R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-carboxy-18,19,21-trihydroxy-16-methylhenicosyl]-6-hydroxybenzoic acid.
Chemical Property Profile of Caloporoside
Property Insights of Caloporoside
The XLogP value of 5.9 indicates that Caloporoside is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 287.0 Ų indicates high polarity, suggesting Caloporoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Caloporoside has 9 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Caloporoside?
The CAS number of Caloporoside is 160471-36-3.
What is the molecular formula of Caloporoside?
The molecular formula of Caloporoside is C40H64O17.
What is the molecular weight of Caloporoside?
The molecular weight of Caloporoside is 816.41 g/mol.
Where can I buy Caloporoside?
You can request a quote for Caloporoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Caloporoside?
Yes, KEHONG BIO provides custom synthesis services for Caloporoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.