Bisdemalonylsalvianin
TL;DR: Bisdemalonylsalvianin (CAS 168753-26-2) is a chemical compound with molecular formula C36H37O18+ and molecular weight 757.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Also Known As: Bisdemalonylsalvianin, pelargonidin 3-O-(6-O-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside, [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate, Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside, 3-({6-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl}oxy)-7-hydroxy-2-(4-hydroxyphenyl)chromenium-5-yl beta-D-glucopyranoside
| Molecular Formula | C36H37O18+ |
|---|---|
| Molecular Weight | 757.20 g/mol |
| LogP | -0.175 |
| Topological Polar Surface Area | 297.05 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 10 |
| Exact Mass | 757.198 |
| Heavy Atoms | 54 |
| Complexity | 1982.9845 |
Chemical Identifiers
| CAS Number | 168753-26-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)/C=C/C6=CC(=C(C=C6)O)O)O)O)O)O |
Product Overview
Bisdemalonylsalvianin (CAS 168753-26-2), with molecular formula C36H37O18+ and molecular weight 757.20 g/mol. IUPAC: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate.
Chemical Property Profile of Bisdemalonylsalvianin
Property Insights of Bisdemalonylsalvianin
The XLogP value of -0.175 indicates that Bisdemalonylsalvianin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 297.05 Ų indicates high polarity, suggesting Bisdemalonylsalvianin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bisdemalonylsalvianin has 11 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bisdemalonylsalvianin?
The CAS number of Bisdemalonylsalvianin is 168753-26-2.
What is the molecular formula of Bisdemalonylsalvianin?
The molecular formula of Bisdemalonylsalvianin is C36H37O18+.
What is the molecular weight of Bisdemalonylsalvianin?
The molecular weight of Bisdemalonylsalvianin is 757.20 g/mol.
Where can I buy Bisdemalonylsalvianin?
You can request a quote for Bisdemalonylsalvianin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bisdemalonylsalvianin?
Yes, KEHONG BIO provides custom synthesis services for Bisdemalonylsalvianin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.