Polygalasaponin Xxviii
TL;DR: Polygalasaponin Xxviii (CAS 176182-01-7) is a chemical compound with molecular formula C53H84O24 and molecular weight 1104.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
Also Known As: Polygalasaponin Xxviii, HY-N12578, HF 2035, (2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid, 3-O-beta-D-Glucopyranosyl presenegenin-28-O-beta-D-galactopyranosyl-(1-3)-beta-D-xylopyranosyl-(1-4)-alpha-L-rhamnopyranosyl-(1-2)-(beta-D-glucopyranosyl-(1-3))-beta-D-fucopyranoside
| Molecular Formula | C53H84O24 |
|---|---|
| Molecular Weight | 1104.54 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 391.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 12 |
| Exact Mass | 1104.5353 |
| Heavy Atoms | 77 |
| Complexity | 2180.0 |
Chemical Identifiers
| CAS Number | 176182-01-7 |
|---|---|
| SMILES | C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC(=O)[C@@]23CC[C@@]4(C(=CC[C@H]5[C@]4(CC[C@@H]6[C@@]5(C[C@@H]([C@@H]([C@@]6(C)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)C)C)[C@@H]2CC(CC3)(C)C)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O)O)O)O |
| InChIKey | KVWTUWYHUKDWNS-LHJNYBJOSA-N |
Product Overview
Polygalasaponin Xxviii (CAS 176182-01-7), with molecular formula C53H84O24 and molecular weight 1104.54 g/mol. IUPAC: (2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid.
Chemical Property Profile of Polygalasaponin Xxviii
Property Insights of Polygalasaponin Xxviii
The XLogP value of -1.7 indicates that Polygalasaponin Xxviii is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 391.0 Ų indicates high polarity, suggesting Polygalasaponin Xxviii may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Polygalasaponin Xxviii has 14 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Polygalasaponin Xxviii?
The CAS number of Polygalasaponin Xxviii is 176182-01-7.
What is the molecular formula of Polygalasaponin Xxviii?
The molecular formula of Polygalasaponin Xxviii is C53H84O24.
What is the molecular weight of Polygalasaponin Xxviii?
The molecular weight of Polygalasaponin Xxviii is 1104.54 g/mol.
Where can I buy Polygalasaponin Xxviii?
You can request a quote for Polygalasaponin Xxviii directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Polygalasaponin Xxviii?
Yes, KEHONG BIO provides custom synthesis services for Polygalasaponin Xxviii and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.