Acovenoside C
TL;DR: Acovenoside C (CAS 28474-86-4) is a chemical compound with molecular formula C42H66O19 and molecular weight 874.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(1R,3R,5R,8R,9S,10S,13R,14S,17R)-1,14-dihydroxy-3-[(2R,3R,4S,5R,6S)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: Acovenoside C, RefChem:1076045, BRN 1280019
| Molecular Formula | C42H66O19 |
|---|---|
| Molecular Weight | 874.42 g/mol |
| LogP | -2.6 |
| Topological Polar Surface Area | 293.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 10 |
| Exact Mass | 874.4198 |
| Heavy Atoms | 61 |
| Complexity | 1600.0 |
Chemical Identifiers
| CAS Number | 28474-86-4 |
|---|---|
| SMILES | C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2C[C@H]3CC[C@@H]4[C@@H]([C@]3([C@@H](C2)O)C)CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)OC)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O |
| InChIKey | FOCJNVIRCFDVTH-JWBCMHTRSA-N |
Product Overview
Acovenoside C (CAS 28474-86-4), with molecular formula C42H66O19 and molecular weight 874.42 g/mol. IUPAC: 3-[(1R,3R,5R,8R,9S,10S,13R,14S,17R)-1,14-dihydroxy-3-[(2R,3R,4S,5R,6S)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of Acovenoside C
Property Insights of Acovenoside C
The XLogP value of -2.6 indicates that Acovenoside C is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 293.0 Ų indicates high polarity, suggesting Acovenoside C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acovenoside C has 10 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acovenoside C?
The CAS number of Acovenoside C is 28474-86-4.
What is the molecular formula of Acovenoside C?
The molecular formula of Acovenoside C is C42H66O19.
What is the molecular weight of Acovenoside C?
The molecular weight of Acovenoside C is 874.42 g/mol.
Where can I buy Acovenoside C?
You can request a quote for Acovenoside C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acovenoside C?
Yes, KEHONG BIO provides custom synthesis services for Acovenoside C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.