Genipin Gentiobioside
TL;DR: Genipin Gentiobioside (CAS 29307-60-6) is a chemical compound with molecular formula C23H34O15 and molecular weight 550.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
Also Known As: Genipin 1-gentiobioside, genipin gentiobioside, genipin-1-b-D-gentiobioside, GBGB, Genipingentiobioside
| Molecular Formula | C23H34O15 |
|---|---|
| Molecular Weight | 550.19 g/mol |
| LogP | -4.4049 |
| Topological Polar Surface Area | 234.29 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 550.18976 |
| Heavy Atoms | 38 |
| Complexity | 892.04004 |
Chemical Identifiers
| CAS Number | 29307-60-6 |
|---|---|
| SMILES | COC(=O)C1=CO[C@H]([C@H]2[C@@H]1CC=C2CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O |
Product Overview
Genipin Gentiobioside (CAS 29307-60-6), with molecular formula C23H34O15 and molecular weight 550.19 g/mol. IUPAC: methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate.
Chemical Property Profile of Genipin Gentiobioside
Property Insights of Genipin Gentiobioside
The XLogP value of -4.4049 indicates that Genipin Gentiobioside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 234.29 Ų indicates high polarity, suggesting Genipin Gentiobioside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Genipin Gentiobioside has 8 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Genipin Gentiobioside?
The CAS number of Genipin Gentiobioside is 29307-60-6.
What is the molecular formula of Genipin Gentiobioside?
The molecular formula of Genipin Gentiobioside is C23H34O15.
What is the molecular weight of Genipin Gentiobioside?
The molecular weight of Genipin Gentiobioside is 550.19 g/mol.
Where can I buy Genipin Gentiobioside?
You can request a quote for Genipin Gentiobioside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Genipin Gentiobioside?
Yes, KEHONG BIO provides custom synthesis services for Genipin Gentiobioside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.