Andromedoside
TL;DR: Andromedoside (CAS 75044-72-3) is a chemical compound with molecular formula C25H28O13 and molecular weight 536.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4aS,7R,7aS)-7-hydroxy-7-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid
Also Known As: Andromedoside, J3.372.060B, Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,7,7a-tetrahydro-7-hydroxy-7-((((2Z)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl)oxy)methyl)-, (1S,4aS,7R,7aS)-, (1S)-1-(beta-D-Glucopyranosyloxy)-1,4aalpha,7,7aalpha-tetrahydro-7-hydroxy-7alpha-[[(Z)-3-(4-hydroxyphenyl)propenoyl]oxymethyl]cyclopenta[c]pyran-4-carboxylic acid, (1S,4aS,7R,7aS)-7-hydroxy-7-({[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,7H,7aH-cyclopenta[c]pyran-4-carboxylic acid
| Molecular Formula | C25H28O13 |
|---|---|
| Molecular Weight | 536.15 g/mol |
| LogP | -1.3768 |
| Topological Polar Surface Area | 212.67 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 536.153 |
| Heavy Atoms | 38 |
| Complexity | 1110.7592 |
Chemical Identifiers
| CAS Number | 75044-72-3 |
|---|---|
| SMILES | C1=C[C@@]([C@@H]2[C@H]1C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O)(COC(=O)/C=C\C4=CC=C(C=C4)O)O |
Product Overview
Andromedoside (CAS 75044-72-3), with molecular formula C25H28O13 and molecular weight 536.15 g/mol. IUPAC: (1S,4aS,7R,7aS)-7-hydroxy-7-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid.
Chemical Property Profile of Andromedoside
Property Insights of Andromedoside
The XLogP value of -1.3768 indicates that Andromedoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 212.67 Ų indicates high polarity, suggesting Andromedoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Andromedoside has 7 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 Andromedoside?
The CAS number of Andromedoside is 75044-72-3.
What is the molecular formula of Andromedoside?
The molecular formula of Andromedoside is C25H28O13.
What is the molecular weight of Andromedoside?
The molecular weight of Andromedoside is 536.15 g/mol.
Where can I buy Andromedoside?
You can request a quote for Andromedoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Andromedoside?
Yes, KEHONG BIO provides custom synthesis services for Andromedoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.