Funkioside I
TL;DR: Funkioside I (CAS 60454-83-3) is a chemical compound with molecular formula C68H112O36 and molecular weight 1504.69 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R,6S)-6-[(2R,3R,4R,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[[(6R,7S,9S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)-4-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: Funkioside I, D-Galactopyranoside, (3-beta,22-alpha,25R)-26-(beta-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-6-deoxy-D-mannopyranosyl-(1-4) O-6-deoxy-D-mannopyranosyl-(1-4)-O-(D-xylopyranosyl-(1-3))-O-D-glucopyranosyl-(1-2)-O-D-glucopyranosyl-(1-4)-
| Molecular Formula | C68H112O36 |
|---|---|
| Molecular Weight | 1504.69 g/mol |
| LogP | -7.868 |
| Topological Polar Surface Area | 563.28 Ų |
| Hydrogen Bond Donors | 21 |
| Hydrogen Bond Acceptors | 36 |
| Rotatable Bonds | 22 |
| Exact Mass | 1504.6934 |
| Heavy Atoms | 104 |
| Complexity | 2819.6182 |
Chemical Identifiers
| CAS Number | 60454-83-3 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H](O[C@H]([C@@H]([C@@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O[C@@H]4[C@H]([C@@H]([C@H](CO4)O)O)O)O)O[C@@H]5[C@H]([C@@H]([C@H](O[C@H]5O[C@H]6[C@H](O[C@H]([C@@H]([C@H]6O)O)O[C@H]7CC[C@@]8(C9CC[C@]1(C(C9CC=C8C7)CC2C1[C@@H]([C@](O2)(CCC(C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C)C)C)CO)CO)O)O)CO)C)O)O)O |
Product Overview
Funkioside I (CAS 60454-83-3), with molecular formula C68H112O36 and molecular weight 1504.69 g/mol. IUPAC: (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R,6S)-6-[(2R,3R,4R,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[[(6R,7S,9S,13R,16S)-6-hydroxy-7,9,13-trimethyl-6-[3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-2-(hydroxymethyl)-4-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol.
Chemical Property Profile of Funkioside I
Property Insights of Funkioside I
The XLogP value of -7.868 indicates that Funkioside I is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 563.28 Ų indicates high polarity, suggesting Funkioside I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Funkioside I has 21 hydrogen bond donor(s) and 36 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Funkioside I?
The CAS number of Funkioside I is 60454-83-3.
What is the molecular formula of Funkioside I?
The molecular formula of Funkioside I is C68H112O36.
What is the molecular weight of Funkioside I?
The molecular weight of Funkioside I is 1504.69 g/mol.
Where can I buy Funkioside I?
You can request a quote for Funkioside I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Funkioside I?
Yes, KEHONG BIO provides custom synthesis services for Funkioside I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.