Colubrinoside
TL;DR: Colubrinoside (CAS 87834-10-4) is a chemical compound with molecular formula C50H78O19 and molecular weight 982.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4R,5R,6S)-6-[(2S,3R,4S,5S)-3-acetyloxy-5-hydroxy-2-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,18R,20S)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-4-yl]oxy-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl] acetate
Also Known As: Colubrinoside, Colubrinoside (Colubrina arborescens), Colubrinoside (colubrina asiatica), J2.767.411I, [(2R,3R,4R,5R,6S)-6-[(2S,3R,4S,5S)-3-acetyloxy-5-hydroxy-2-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,18R,20S)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-4-yl]oxy-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl] acetate
| Molecular Formula | C50H78O19 |
|---|---|
| Molecular Weight | 982.51 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 268.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 12 |
| Exact Mass | 982.51373 |
| Heavy Atoms | 69 |
| Complexity | 1950.0 |
Chemical Identifiers
| CAS Number | 87834-10-4 |
|---|---|
| SMILES | CC(=C[C@H]1C[C@]([C@@H]2[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@]36C[C@@]2(O1)OC6)C)(C)C)O[C@H]7[C@@H]([C@H]([C@H](CO7)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)OC(=O)C)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O)OC(=O)C)C)(C)O)C |
| InChIKey | XZQXLJBNWHQGAB-OVVKAUKKSA-N |
Product Overview
Colubrinoside (CAS 87834-10-4), with molecular formula C50H78O19 and molecular weight 982.51 g/mol. IUPAC: [(2R,3R,4R,5R,6S)-6-[(2S,3R,4S,5S)-3-acetyloxy-5-hydroxy-2-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,18R,20S)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-4-yl]oxy-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl] acetate.
Chemical Property Profile of Colubrinoside
Property Insights of Colubrinoside
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Colubrinoside. The TPSA of 268.0 Ų indicates high polarity, suggesting Colubrinoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Colubrinoside has 7 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 Colubrinoside?
The CAS number of Colubrinoside is 87834-10-4.
What is the molecular formula of Colubrinoside?
The molecular formula of Colubrinoside is C50H78O19.
What is the molecular weight of Colubrinoside?
The molecular weight of Colubrinoside is 982.51 g/mol.
Where can I buy Colubrinoside?
You can request a quote for Colubrinoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Colubrinoside?
Yes, KEHONG BIO provides custom synthesis services for Colubrinoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.