6-O-Glucosyl-2'-O-benzoylaucubin
TL;DR: 6-O-Glucosyl-2'-O-benzoylaucubin (CAS 80998-14-7) is a chemical compound with molecular formula C28H36O15 and molecular weight 612.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6S)-2-[[(4aR,7aR)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-5-yl]oxy]-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] benzoate
Also Known As: 6-O-Glucosyl-2'-O-benzoylaucubin, 6-O-beta-Glucopyranosyl-2'-O-benzoylaucubin, 1-Palmitoyl-2-dihydrosterculoyl-sn-glycero-3-phosphocholine, beta-D-Glucopyranoside, 1-((2-O-benzoyl-beta-D-glucopyranosyl)oxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)cyclopenta(c)pyran-5-yl, (1S-(1alpha,4aalpha,5alpha,7aalpha))-, [(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6S)-2-[[(4aR,7aR)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-5-yl]oxy]-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] benzoate
| Molecular Formula | C28H36O15 |
|---|---|
| Molecular Weight | 612.21 g/mol |
| LogP | -2.6 |
| Topological Polar Surface Area | 234.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 10 |
| Exact Mass | 612.20544 |
| Heavy Atoms | 43 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 80998-14-7 |
|---|---|
| SMILES | C1[C@@H]2[C@H](C=CO1)C(C=C2CO)O[C@@]3([C@@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)OC(=O)C5=CC=CC=C5 |
| InChIKey | GHCUJOYTTRWTCO-BUVIDQTFSA-N |
Product Overview
6-O-Glucosyl-2'-O-benzoylaucubin (CAS 80998-14-7), with molecular formula C28H36O15 and molecular weight 612.21 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6S)-2-[[(4aR,7aR)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-5-yl]oxy]-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] benzoate.
Chemical Property Profile of 6-O-Glucosyl-2'-O-benzoylaucubin
Property Insights of 6-O-Glucosyl-2'-O-benzoylaucubin
The XLogP value of -2.6 indicates that 6-O-Glucosyl-2'-O-benzoylaucubin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 234.0 Ų indicates high polarity, suggesting 6-O-Glucosyl-2'-O-benzoylaucubin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-O-Glucosyl-2'-O-benzoylaucubin has 8 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-O-Glucosyl-2'-O-benzoylaucubin?
The CAS number of 6-O-Glucosyl-2'-O-benzoylaucubin is 80998-14-7.
What is the molecular formula of 6-O-Glucosyl-2'-O-benzoylaucubin?
The molecular formula of 6-O-Glucosyl-2'-O-benzoylaucubin is C28H36O15.
What is the molecular weight of 6-O-Glucosyl-2'-O-benzoylaucubin?
The molecular weight of 6-O-Glucosyl-2'-O-benzoylaucubin is 612.21 g/mol.
Where can I buy 6-O-Glucosyl-2'-O-benzoylaucubin?
You can request a quote for 6-O-Glucosyl-2'-O-benzoylaucubin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-O-Glucosyl-2'-O-benzoylaucubin?
Yes, KEHONG BIO provides custom synthesis services for 6-O-Glucosyl-2'-O-benzoylaucubin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.