Arborside B
TL;DR: Arborside B (CAS 128450-79-3) is a chemical compound with molecular formula C24H30O11 and molecular weight 494.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,4aS,6S,7R,7aS)-6-benzoyloxy-7-methyl-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: Arborside B, Cyclopenta(c)pyran-4-carboxylic acid, 6-(benzoyloxy)-1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-, methyl ester,(1S,4aS,6S,7R,7aS)-, methyl (1S,4aS,6S,7R,7aS)-6-benzoyloxy-7-methyl-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,6S,7R,7ar)-6-(benzoyloxy)-7-methyl-1-(((2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)-1H,4ah,5H,6H,7H,7ah-cyclopenta(c)pyran-4-carboxylic acid, Methyl (1S,4as,6S,7R,7ar)-6-(benzoyloxy)-7-methyl-1-{[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4ah,5H,6H,7H,7ah-cyclopenta[c]pyran-4-carboxylic acid
| Molecular Formula | C24H30O11 |
|---|---|
| Molecular Weight | 494.18 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 494.1788 |
| Heavy Atoms | 35 |
| Complexity | 794.0 |
Chemical Identifiers
| CAS Number | 128450-79-3 |
|---|---|
| SMILES | C[C@H]1[C@H](C[C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC(=O)C4=CC=CC=C4 |
| InChIKey | SRHCEINKSBRPGZ-YDAJUWBCSA-N |
Product Overview
Arborside B (CAS 128450-79-3), with molecular formula C24H30O11 and molecular weight 494.18 g/mol. IUPAC: methyl (1S,4aS,6S,7R,7aS)-6-benzoyloxy-7-methyl-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 Arborside B
Property Insights of Arborside B
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Arborside B. The TPSA of 161.0 Ų indicates high polarity, suggesting Arborside B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Arborside B has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Arborside B?
The CAS number of Arborside B is 128450-79-3.
What is the molecular formula of Arborside B?
The molecular formula of Arborside B is C24H30O11.
What is the molecular weight of Arborside B?
The molecular weight of Arborside B is 494.18 g/mol.
Where can I buy Arborside B?
You can request a quote for Arborside B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Arborside B?
Yes, KEHONG BIO provides custom synthesis services for Arborside B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.