6'-O-bea-Glucosylaucubin
TL;DR: 6'-O-bea-Glucosylaucubin (CAS 78392-84-4) is a chemical compound with molecular formula C21H32O14 and molecular weight 508.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4R,5R,6S)-6-[[(4aS,7aR)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
Also Known As: 6'-O-bea-Glucosylaucubin, Aucubigenin 1-O-beta-gentiobioside, Brl 20459, beta-D-Glucopyranoside, 1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta(c)pyran-1-yl 6-O-beta-D-glucopyranosyl-, (1S-(1alpha,4aalpha,5alpha,7aalpha))-, (2S,3S,4R,5R,6S)-6-[[(4aS,7aR)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
| Molecular Formula | C21H32O14 |
|---|---|
| Molecular Weight | 508.18 g/mol |
| LogP | -4.8 |
| Topological Polar Surface Area | 228.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 508.1792 |
| Heavy Atoms | 35 |
| Complexity | 792.0 |
Chemical Identifiers
| CAS Number | 78392-84-4 |
|---|---|
| SMILES | C1C=C([C@H]2[C@@H]1C=COC2O[C@@H]3[C@@H]([C@H]([C@@H]([C@@](O3)(CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O)CO |
| InChIKey | KKQJWITWXVRRGR-QHRWLNFYSA-N |
Product Overview
6'-O-bea-Glucosylaucubin (CAS 78392-84-4), with molecular formula C21H32O14 and molecular weight 508.18 g/mol. IUPAC: (2S,3S,4R,5R,6S)-6-[[(4aS,7aR)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol.
Chemical Property Profile of 6'-O-bea-Glucosylaucubin
Property Insights of 6'-O-bea-Glucosylaucubin
The XLogP value of -4.8 indicates that 6'-O-bea-Glucosylaucubin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 228.0 Ų indicates high polarity, suggesting 6'-O-bea-Glucosylaucubin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6'-O-bea-Glucosylaucubin has 9 hydrogen bond donor(s) and 14 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-bea-Glucosylaucubin?
The CAS number of 6'-O-bea-Glucosylaucubin is 78392-84-4.
What is the molecular formula of 6'-O-bea-Glucosylaucubin?
The molecular formula of 6'-O-bea-Glucosylaucubin is C21H32O14.
What is the molecular weight of 6'-O-bea-Glucosylaucubin?
The molecular weight of 6'-O-bea-Glucosylaucubin is 508.18 g/mol.
Where can I buy 6'-O-bea-Glucosylaucubin?
You can request a quote for 6'-O-bea-Glucosylaucubin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6'-O-bea-Glucosylaucubin?
Yes, KEHONG BIO provides custom synthesis services for 6'-O-bea-Glucosylaucubin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.