Glycoside J-3
TL;DR: Glycoside J-3 (CAS 94898-63-2) is a chemical compound with molecular formula C45H70O20S and molecular weight 962.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4R,5R,6R)-4-hydroxy-2-methyl-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[(1S,2S,4S,6R,7S,8R,9S,12S,13R,14R,16R)-7,9,13-trimethyl-5'-methylidene-16-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxyoxan-3-yl] hydrogen sulfate
Also Known As: Glycoside J-3, (1beta,3beta)-3-(beta-D-Glucopyranosyloxy)spirosta-5,25(27)-dien-1-yl-6-deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-4-(hydrogen sulfate)-beta-D-galactopyranoside, beta-D-Galactopyranoside, (1-beta,3-beta)-3-(beta-D-glucopyranosyloxy)spirosta-5,25(27)-dien-1-yl 6-deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-, 4-(hydrogen sulfate)
| Molecular Formula | C45H70O20S |
|---|---|
| Molecular Weight | 962.42 g/mol |
| LogP | -0.0403 |
| Topological Polar Surface Area | 299.28 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 9 |
| Exact Mass | 962.4181 |
| Heavy Atoms | 66 |
| Complexity | 1926.0983 |
Chemical Identifiers
| CAS Number | 94898-63-2 |
|---|---|
| SMILES | C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4([C@@H](C[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)OS(=O)(=O)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C)O[C@]19CCC(=C)CO9 |
Product Overview
Glycoside J-3 (CAS 94898-63-2), with molecular formula C45H70O20S and molecular weight 962.42 g/mol. IUPAC: [(2R,3R,4R,5R,6R)-4-hydroxy-2-methyl-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[(1S,2S,4S,6R,7S,8R,9S,12S,13R,14R,16R)-7,9,13-trimethyl-5'-methylidene-16-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxyoxan-3-yl] hydrogen sulfate.
Chemical Property Profile of Glycoside J-3
Property Insights of Glycoside J-3
The XLogP value of -0.0403 indicates that Glycoside J-3 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 299.28 Ų indicates high polarity, suggesting Glycoside J-3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Glycoside J-3 has 9 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Glycoside J-3?
The CAS number of Glycoside J-3 is 94898-63-2.
What is the molecular formula of Glycoside J-3?
The molecular formula of Glycoside J-3 is C45H70O20S.
What is the molecular weight of Glycoside J-3?
The molecular weight of Glycoside J-3 is 962.42 g/mol.
Where can I buy Glycoside J-3?
You can request a quote for Glycoside J-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glycoside J-3?
Yes, KEHONG BIO provides custom synthesis services for Glycoside J-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.