Aucubigenin-1-O-beta-serotinoside
TL;DR: Aucubigenin-1-O-beta-serotinoside (CAS 79127-31-4) is a chemical compound with molecular formula C20H30O13 and molecular weight 478.17 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,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
Also Known As: Aucubigenin-1-O-beta-serotinoside, beta-D-Glucopyranoside, 1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta(c)pyran-1-yl 6-O-alpha-D-xylopyranosyl-, (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,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
| Molecular Formula | C20H30O13 |
|---|---|
| Molecular Weight | 478.17 g/mol |
| LogP | -4.8 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 478.16864 |
| Heavy Atoms | 33 |
| Complexity | 745.0 |
Chemical Identifiers
| CAS Number | 79127-31-4 |
|---|---|
| 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](CO4)O)O)O)O)O)O)O)CO |
| InChIKey | WYUZVJUXYRHMNQ-ULTSAYJWSA-N |
Product Overview
Aucubigenin-1-O-beta-serotinoside (CAS 79127-31-4), with molecular formula C20H30O13 and molecular weight 478.17 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,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol.
Chemical Property Profile of Aucubigenin-1-O-beta-serotinoside
Property Insights of Aucubigenin-1-O-beta-serotinoside
The XLogP value of -4.8 indicates that Aucubigenin-1-O-beta-serotinoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 208.0 Ų indicates high polarity, suggesting Aucubigenin-1-O-beta-serotinoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aucubigenin-1-O-beta-serotinoside has 8 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aucubigenin-1-O-beta-serotinoside?
The CAS number of Aucubigenin-1-O-beta-serotinoside is 79127-31-4.
What is the molecular formula of Aucubigenin-1-O-beta-serotinoside?
The molecular formula of Aucubigenin-1-O-beta-serotinoside is C20H30O13.
What is the molecular weight of Aucubigenin-1-O-beta-serotinoside?
The molecular weight of Aucubigenin-1-O-beta-serotinoside is 478.17 g/mol.
Where can I buy Aucubigenin-1-O-beta-serotinoside?
You can request a quote for Aucubigenin-1-O-beta-serotinoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aucubigenin-1-O-beta-serotinoside?
Yes, KEHONG BIO provides custom synthesis services for Aucubigenin-1-O-beta-serotinoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.