Congmuyenoside B
TL;DR: Congmuyenoside B (CAS 184427-82-5) is a chemical compound with molecular formula C54H88O24 and molecular weight 1120.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2R,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: Congmuyenoside B, Olean-12-en-28-oic acid, 3-((O-beta-D-glucopyranosyl-(1-2)-O-(O-beta-D-glucopyranosyl-(1-3)-beta-D-glucopyranosyl-(1-3))-beta-D-glucopyranosyl)oxy)-23-hydroxy-, (3beta,4alpha)-, (4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2R,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
| Molecular Formula | C54H88O24 |
|---|---|
| Molecular Weight | 1120.57 g/mol |
| LogP | -2.4972 |
| Topological Polar Surface Area | 394.36 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 14 |
| Exact Mass | 1120.5665 |
| Heavy Atoms | 78 |
| Complexity | 2133.632 |
Chemical Identifiers
| CAS Number | 184427-82-5 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C(C1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O |
Product Overview
Congmuyenoside B (CAS 184427-82-5), with molecular formula C54H88O24 and molecular weight 1120.57 g/mol. IUPAC: (4aS,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2R,3R,4S,5R,6R)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid.
Chemical Property Profile of Congmuyenoside B
Property Insights of Congmuyenoside B
The XLogP value of -2.4972 indicates that Congmuyenoside B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 394.36 Ų indicates high polarity, suggesting Congmuyenoside B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Congmuyenoside B has 15 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Congmuyenoside B?
The CAS number of Congmuyenoside B is 184427-82-5.
What is the molecular formula of Congmuyenoside B?
The molecular formula of Congmuyenoside B is C54H88O24.
What is the molecular weight of Congmuyenoside B?
The molecular weight of Congmuyenoside B is 1120.57 g/mol.
Where can I buy Congmuyenoside B?
You can request a quote for Congmuyenoside B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Congmuyenoside B?
Yes, KEHONG BIO provides custom synthesis services for Congmuyenoside B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.