Agavasaponin C'
TL;DR: Agavasaponin C' (CAS 56316-35-9) is a chemical compound with molecular formula C45H72O19 and molecular weight 916.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,4S,7S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
Also Known As: Agavasaponin C', Agavoside C', Agavasaponin C, (1R,2S,4S,7S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one, (2aS,4S,6aS,6bS,8aS,8bR,9S,11aS,12aS,12bR)-4-(((2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5',6a,8a,9-tetramethylicosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-8(2H)-one
| Molecular Formula | C45H72O19 |
|---|---|
| Molecular Weight | 916.47 g/mol |
| LogP | -1.5546 |
| Topological Polar Surface Area | 293.21 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 9 |
| Exact Mass | 916.4668 |
| Heavy Atoms | 64 |
| Complexity | 1645.8213 |
Chemical Identifiers
| CAS Number | 56316-35-9 |
|---|---|
| SMILES | C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(C(=O)C[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)OC19CCC(CO9)C |
Product Overview
Agavasaponin C' (CAS 56316-35-9), with molecular formula C45H72O19 and molecular weight 916.47 g/mol. IUPAC: (1R,2S,4S,7S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one.
Chemical Property Profile of Agavasaponin C'
Property Insights of Agavasaponin C'
The XLogP value of -1.5546 indicates that Agavasaponin C' is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 293.21 Ų indicates high polarity, suggesting Agavasaponin C' may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Agavasaponin 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 Agavasaponin C'?
The CAS number of Agavasaponin C' is 56316-35-9.
What is the molecular formula of Agavasaponin C'?
The molecular formula of Agavasaponin C' is C45H72O19.
What is the molecular weight of Agavasaponin C'?
The molecular weight of Agavasaponin C' is 916.47 g/mol.
Where can I buy Agavasaponin C'?
You can request a quote for Agavasaponin C' directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Agavasaponin C'?
Yes, KEHONG BIO provides custom synthesis services for Agavasaponin C' and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.