Arvensoside A
TL;DR: Arvensoside A (CAS 110219-89-1) is a chemical compound with molecular formula C48H78O18 and molecular weight 942.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Also Known As: Arvensoside A, [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate, Olean-12-en-28-oic acid, 3-[(3-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy]-, beta-D-glucopyranosyl ester, (3beta)-, (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-{[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate, 1-O-{3beta-[(3-O-beta-D-Galactopyranosyl-beta-D-glucopyranosyl)oxy]-28-oxoolean-12-en-28-yl}-beta-D-glucopyranose
| Molecular Formula | C48H78O18 |
|---|---|
| Molecular Weight | 942.52 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 295.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 10 |
| Exact Mass | 942.5188 |
| Heavy Atoms | 66 |
| Complexity | 1800.0 |
Chemical Identifiers
| CAS Number | 110219-89-1 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O |
| InChIKey | MHCDFIFLMYBWIV-PLLMSDPHSA-N |
Product Overview
Arvensoside A (CAS 110219-89-1), with molecular formula C48H78O18 and molecular weight 942.52 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate.
Chemical Property Profile of Arvensoside A
Property Insights of Arvensoside A
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Arvensoside A. The TPSA of 295.0 Ų indicates high polarity, suggesting Arvensoside A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Arvensoside A has 11 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Arvensoside A?
The CAS number of Arvensoside A is 110219-89-1.
What is the molecular formula of Arvensoside A?
The molecular formula of Arvensoside A is C48H78O18.
What is the molecular weight of Arvensoside A?
The molecular weight of Arvensoside A is 942.52 g/mol.
Where can I buy Arvensoside A?
You can request a quote for Arvensoside A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Arvensoside A?
Yes, KEHONG BIO provides custom synthesis services for Arvensoside A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.