Chikusetsusaponin III
TL;DR: Chikusetsusaponin III (CAS 29845-71-4) is a chemical compound with molecular formula C47H80O17 and molecular weight 916.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[(10R,12S,14R,17S)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,6,10,14-pentamethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-6-(hydroxymethyl)-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Chikusetsusaponin III, BRN 1418337
| Molecular Formula | C47H80O17 |
|---|---|
| Molecular Weight | 916.54 g/mol |
| LogP | 0.0617 |
| Topological Polar Surface Area | 288.91 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 11 |
| Exact Mass | 916.53955 |
| Heavy Atoms | 64 |
| Complexity | 1641.1128 |
Chemical Identifiers
| CAS Number | 29845-71-4 |
|---|---|
| SMILES | CC1CC2C(C[C@@H](C3[C@@]2(CC[C@@H]3[C@](C)(CCC=C(C)C)O)C)O)[C@@]4(C1C(C(CC4)[C@@]5([C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)(C)C)C |
Product Overview
Chikusetsusaponin III (CAS 29845-71-4), with molecular formula C47H80O17 and molecular weight 916.54 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[(10R,12S,14R,17S)-12-hydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,6,10,14-pentamethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-6-(hydroxymethyl)-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Chikusetsusaponin III
Property Insights of Chikusetsusaponin III
The XLogP value of 0.0617 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chikusetsusaponin III. The TPSA of 288.91 Ų indicates high polarity, suggesting Chikusetsusaponin III may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chikusetsusaponin III has 12 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chikusetsusaponin III?
The CAS number of Chikusetsusaponin III is 29845-71-4.
What is the molecular formula of Chikusetsusaponin III?
The molecular formula of Chikusetsusaponin III is C47H80O17.
What is the molecular weight of Chikusetsusaponin III?
The molecular weight of Chikusetsusaponin III is 916.54 g/mol.
Where can I buy Chikusetsusaponin III?
You can request a quote for Chikusetsusaponin III directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chikusetsusaponin III?
Yes, KEHONG BIO provides custom synthesis services for Chikusetsusaponin III and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.