Bacoside A1
TL;DR: Bacoside A1 (CAS 58798-94-0) is a chemical compound with molecular formula C40H64O12 and molecular weight 736.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5S)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,17R,20R)-16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxane-3,5-diol
Also Known As: Bacoside A1
| Molecular Formula | C40H64O12 |
|---|---|
| Molecular Weight | 736.44 g/mol |
| LogP | 2.6391 |
| Topological Polar Surface Area | 176.76 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 736.43976 |
| Heavy Atoms | 52 |
| Complexity | 1399.9453 |
Chemical Identifiers
| CAS Number | 58798-94-0 |
|---|---|
| SMILES | CC(=C[C@@H]1CO[C@]23C[C@]4(CO2)[C@@H]([C@H]3[C@@]1(C)O)CC[C@H]5[C@]4(CC[C@@H]6[C@@]5(CC[C@@H](C6(C)C)O[C@H]7[C@@H]([C@H]([C@H](CO7)O)O[C@H]8[C@@H]([C@H]([C@@H](O8)CO)O)O)O)C)C)C |
Product Overview
Bacoside A1 (CAS 58798-94-0), with molecular formula C40H64O12 and molecular weight 736.44 g/mol. IUPAC: (2S,3R,4S,5S)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,17R,20R)-16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxane-3,5-diol.
Chemical Property Profile of Bacoside A1
Property Insights of Bacoside A1
The XLogP value of 2.6391 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bacoside A1. The TPSA of 176.76 Ų indicates high polarity, suggesting Bacoside A1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bacoside A1 has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bacoside A1?
The CAS number of Bacoside A1 is 58798-94-0.
What is the molecular formula of Bacoside A1?
The molecular formula of Bacoside A1 is C40H64O12.
What is the molecular weight of Bacoside A1?
The molecular weight of Bacoside A1 is 736.44 g/mol.
Where can I buy Bacoside A1?
You can request a quote for Bacoside A1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bacoside A1?
Yes, KEHONG BIO provides custom synthesis services for Bacoside A1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.