Bonafousioside
TL;DR: Bonafousioside (CAS 13388-74-4) is a chemical compound with molecular formula C28H40O13 and molecular weight 584.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4R,5R,6R)-2-butoxy-5-(3,4-dihydroxy-5-methoxyphenyl)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-6-(hydroxymethyl)-4-(methoxymethyl)oxane-3,4,5-triol
Also Known As: Bonafousioside, Butyl 4-C-(3,4-dihydroxy-5-methoxyphenyl)-2-C-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-3-C-(methoxymethyl)hexopyranoside, (2R,3R,4R,5R,6R)-2-butoxy-5-(3,4-dihydroxy-5-methoxyphenyl)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-6-(hydroxymethyl)-4-(methoxymethyl)oxane-3,4,5-triol, beta-D-Glucopyranoside, 4-(3,4-dihydroxy-5-methoxyphenyl)-2-((4-hydroxy-3,5-dimethoxyphenyl)methyl)-3-(methoxymethyl)butyl, (R-(R*,R*))-, butyl 4-c-(3,4-dihydroxy-5-methoxyphenyl)-2-c-(4-hydroxy-3,5-dimethoxybenzyl)-3-c-(methoxymethyl)-
| Molecular Formula | C28H40O13 |
|---|---|
| Molecular Weight | 584.25 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 13 |
| Exact Mass | 584.2469 |
| Heavy Atoms | 41 |
| Complexity | 791.0 |
Chemical Identifiers
| CAS Number | 13388-74-4 |
|---|---|
| SMILES | CCCCO[C@H]1[C@]([C@]([C@]([C@H](O1)CO)(C2=CC(=C(C(=C2)OC)O)O)O)(COC)O)(CC3=CC(=C(C(=C3)OC)O)OC)O |
| InChIKey | WODHEHKVGYDCOS-ZNPNLSIGSA-N |
Product Overview
Bonafousioside (CAS 13388-74-4), with molecular formula C28H40O13 and molecular weight 584.25 g/mol. IUPAC: (2R,3R,4R,5R,6R)-2-butoxy-5-(3,4-dihydroxy-5-methoxyphenyl)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-6-(hydroxymethyl)-4-(methoxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Bonafousioside
Property Insights of Bonafousioside
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bonafousioside. The TPSA of 197.0 Ų indicates high polarity, suggesting Bonafousioside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bonafousioside has 7 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 Bonafousioside?
The CAS number of Bonafousioside is 13388-74-4.
What is the molecular formula of Bonafousioside?
The molecular formula of Bonafousioside is C28H40O13.
What is the molecular weight of Bonafousioside?
The molecular weight of Bonafousioside is 584.25 g/mol.
Where can I buy Bonafousioside?
You can request a quote for Bonafousioside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bonafousioside?
Yes, KEHONG BIO provides custom synthesis services for Bonafousioside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.