Arbortristoside B
TL;DR: Arbortristoside B (CAS 97145-54-5) is a chemical compound with molecular formula C26H32O15 and molecular weight 584.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,4aS)-5-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-6-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
Also Known As: Arbortristoside B, Methoxybemitil, Cyclopenta(c)pyran-4-carboxylic acid, 5-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-(hydroxymethyl)-, methyl ester, (1S-(1alpha,4aalpha,5alpha(E),6alpha,7alpha,7aalpha))-, methyl (1S,4aS)-5-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-6-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate, methyl (1S,4aS)-5-((E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl)oxy-6-hydroxy-7-(hydroxymethyl)-1-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-1,4a,5,6,7,7a-hexahydrocyclopenta(c)pyran-4-carboxylate
| Molecular Formula | C26H32O15 |
|---|---|
| Molecular Weight | 584.17 g/mol |
| LogP | -2.5321 |
| Topological Polar Surface Area | 242.13 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 584.17413 |
| Heavy Atoms | 41 |
| Complexity | 1165.5374 |
Chemical Identifiers
| CAS Number | 97145-54-5 |
|---|---|
| SMILES | COC(=O)C1=CO[C@H](C2[C@@H]1C(C(C2CO)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
Product Overview
Arbortristoside B (CAS 97145-54-5), with molecular formula C26H32O15 and molecular weight 584.17 g/mol. IUPAC: methyl (1S,4aS)-5-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-6-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate.
Chemical Property Profile of Arbortristoside B
Property Insights of Arbortristoside B
The XLogP value of -2.5321 indicates that Arbortristoside B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 242.13 Ų indicates high polarity, suggesting Arbortristoside B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Arbortristoside B 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 Arbortristoside B?
The CAS number of Arbortristoside B is 97145-54-5.
What is the molecular formula of Arbortristoside B?
The molecular formula of Arbortristoside B is C26H32O15.
What is the molecular weight of Arbortristoside B?
The molecular weight of Arbortristoside B is 584.17 g/mol.
Where can I buy Arbortristoside B?
You can request a quote for Arbortristoside B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Arbortristoside B?
Yes, KEHONG BIO provides custom synthesis services for Arbortristoside B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.