Avenacoside B
TL;DR: Avenacoside B (CAS 35920-91-3) is a chemical compound with molecular formula C57H92O28 and molecular weight 1224.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'S,6S,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethyl-5'-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxolane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: Avenacoside B, (22S,25S)-26-(beta-D-Glucopyranosyloxy)-22,25-epoxyfurost-5-en-3beta-yl 6-deoxy-alpha-L-mannopyranosyl-(1->4)-[beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranoside, (2S,3R,4R,5R,6S)-2-{[(2R,3S,4S,5R,6R)-5-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-2-(hydroxymethyl)-6-[(1'S,2S,2'S,4'S,5S,7'S,8'R,9'S,12'S,13'R,16'S)-5,7',9',13'-tetramethyl-5-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosan]-18'-eneoxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol, [(25S)-22alpha,25-Epoxy-26-(beta-D-glucopyranosyloxy)furost-5-en-3beta-yl]2-O-[3-O-(beta-D-glucopyranosyl)-beta-D-glucopyranosyl]-4-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
| Molecular Formula | C57H92O28 |
|---|---|
| Molecular Weight | 1224.58 g/mol |
| LogP | -3.6 |
| Topological Polar Surface Area | 434.0 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 28 |
| Rotatable Bonds | 15 |
| Exact Mass | 1224.5775 |
| Heavy Atoms | 85 |
| Complexity | 2310.0 |
Chemical Identifiers
| CAS Number | 35920-91-3 |
|---|---|
| SMILES | C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)C)C)O[C@]11CC[C@@](O1)(C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| InChIKey | KSQDOQZKXFUZMV-ZRCSLNBESA-N |
Product Overview
Avenacoside B (CAS 35920-91-3), with molecular formula C57H92O28 and molecular weight 1224.58 g/mol. IUPAC: (2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'S,6S,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethyl-5'-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]spiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxolane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol.
Chemical Property Profile of Avenacoside B
Property Insights of Avenacoside B
The XLogP value of -3.6 indicates that Avenacoside B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 434.0 Ų indicates high polarity, suggesting Avenacoside B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Avenacoside B has 16 hydrogen bond donor(s) and 28 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Avenacoside B?
The CAS number of Avenacoside B is 35920-91-3.
What is the molecular formula of Avenacoside B?
The molecular formula of Avenacoside B is C57H92O28.
What is the molecular weight of Avenacoside B?
The molecular weight of Avenacoside B is 1224.58 g/mol.
Where can I buy Avenacoside B?
You can request a quote for Avenacoside B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Avenacoside B?
Yes, KEHONG BIO provides custom synthesis services for Avenacoside B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.