Agaveside B
TL;DR: Agaveside B (CAS 128232-93-9) is a chemical compound with molecular formula C55H90O26 and molecular weight 1166.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-hydroxy-4-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy-6-(hydroxymethyl)-2-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Agaveside B, Agathene dicarboxylic acid-C15-methylester, 3beta-O-(beta-Xylopyranosyl(1-2),beta-xylopyranosyl(1-3)beta-glucopyranosyl(1-3)(beta-galactopyranosyl(1-2))-beta-glucopyranosyl)spirostane, 2-[5-hydroxy-4-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy-6-(hydroxymethyl)-2-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, beta-D-Glucopyranoside, (3beta,5alpha,25R)-spirostan-3-yl O-beta-D-galactopyranosyl-(1-2)-O-(O-beta-D-xylopyranosyl-(1-2)-O-(beta-D-xylopyranosyl-(1-3))-beta-D-glucopyranosyl-(1-3))-
| Molecular Formula | C55H90O26 |
|---|---|
| Molecular Weight | 1166.57 g/mol |
| LogP | -3.807 |
| Topological Polar Surface Area | 393.98 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 13 |
| Exact Mass | 1166.572 |
| Heavy Atoms | 81 |
| Complexity | 2091.8699 |
Chemical Identifiers
| CAS Number | 128232-93-9 |
|---|---|
| SMILES | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(CO2)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)C)C)C)OC1 |
Product Overview
Agaveside B (CAS 128232-93-9), with molecular formula C55H90O26 and molecular weight 1166.57 g/mol. IUPAC: 2-[5-hydroxy-4-[5-hydroxy-6-(hydroxymethyl)-3,4-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy-6-(hydroxymethyl)-2-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Agaveside B
Property Insights of Agaveside B
The XLogP value of -3.807 indicates that Agaveside B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 393.98 Ų indicates high polarity, suggesting Agaveside B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Agaveside B has 14 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Agaveside B?
The CAS number of Agaveside B is 128232-93-9.
What is the molecular formula of Agaveside B?
The molecular formula of Agaveside B is C55H90O26.
What is the molecular weight of Agaveside B?
The molecular weight of Agaveside B is 1166.57 g/mol.
Where can I buy Agaveside B?
You can request a quote for Agaveside B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Agaveside B?
Yes, KEHONG BIO provides custom synthesis services for Agaveside B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.