Orobanchoside
TL;DR: Orobanchoside (CAS 61276-16-2) is a chemical compound with molecular formula C29H36O16 and molecular weight 640.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4S,5R,6R)-6-[(2S)-2-(3,4-dihydroxyphenyl)-2-hydroxyethoxy]-4-hydroxy-2-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Also Known As: Orobanchoside, Crenatoside, [(2R,3S,4S,5R,6R)-6-[(2S)-2-(3,4-dihydroxyphenyl)-2-hydroxyethoxy]-4-hydroxy-2-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
| Molecular Formula | C29H36O16 |
|---|---|
| Molecular Weight | 640.20 g/mol |
| LogP | -1.525 |
| Topological Polar Surface Area | 265.52 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 640.2003 |
| Heavy Atoms | 45 |
| Complexity | 1335.3636 |
Chemical Identifiers
| CAS Number | 61276-16-2 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC[C@H](C3=CC(=C(C=C3)O)O)O)CO)OC(=O)/C=C/C4=CC(=C(C=C4)O)O)O)O)O)O |
Product Overview
Orobanchoside (CAS 61276-16-2), with molecular formula C29H36O16 and molecular weight 640.20 g/mol. IUPAC: [(2R,3S,4S,5R,6R)-6-[(2S)-2-(3,4-dihydroxyphenyl)-2-hydroxyethoxy]-4-hydroxy-2-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate.
Chemical Property Profile of Orobanchoside
Property Insights of Orobanchoside
The XLogP value of -1.525 indicates that Orobanchoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 265.52 Ų indicates high polarity, suggesting Orobanchoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Orobanchoside has 10 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Orobanchoside?
The CAS number of Orobanchoside is 61276-16-2.
What is the molecular formula of Orobanchoside?
The molecular formula of Orobanchoside is C29H36O16.
What is the molecular weight of Orobanchoside?
The molecular weight of Orobanchoside is 640.20 g/mol.
Where can I buy Orobanchoside?
You can request a quote for Orobanchoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Orobanchoside?
Yes, KEHONG BIO provides custom synthesis services for Orobanchoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.