Polypodoside A
TL;DR: Polypodoside A (CAS 119784-25-7) is a chemical compound with molecular formula C45H72O17 and molecular weight 884.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,5R,9S,10R,13R,14S,17R)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-17-[(1S)-1-[(2R,5S,6R)-5-methyl-6-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]ethyl]-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one
Also Known As: Polypodoside A, 26-O-Rhamnopyranosylpolypodogen-3-O-rhamnopyranosyl-(1-2)-glucopyranoside, (3R,5R,9S,10R,13R,14S,17R)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-17-[(1S)-1-[(2R,5S,6R)-5-methyl-6-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]ethyl]-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one, 26-O-rhamnopyranosylpolypodogen-3-O-rhamnopyranosyl-(1--2)-glucopyranoside, Cholest-7-en-6-one, 3-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-26-((6-deoxy-alpha-L-mannopyranosyl)oxy)-22,26-epoxy-, (3beta,5alpha,22S,25R,26S)-
| Molecular Formula | C45H72O17 |
|---|---|
| Molecular Weight | 884.48 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 264.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 9 |
| Exact Mass | 884.4769 |
| Heavy Atoms | 62 |
| Complexity | 1620.0 |
Chemical Identifiers
| CAS Number | 119784-25-7 |
|---|---|
| SMILES | C[C@H]1CC[C@@H](O[C@@H]1O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)[C@@H](C)[C@H]3CC[C@H]4[C@@]3(CC[C@@H]5C4=CC(=O)[C@H]6[C@@]5(CC[C@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C |
| InChIKey | OFFJUHSISSNBNT-NZWHLKEESA-N |
Product Overview
Polypodoside A (CAS 119784-25-7), with molecular formula C45H72O17 and molecular weight 884.48 g/mol. IUPAC: (3R,5R,9S,10R,13R,14S,17R)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-17-[(1S)-1-[(2R,5S,6R)-5-methyl-6-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]ethyl]-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one.
Chemical Property Profile of Polypodoside A
Property Insights of Polypodoside A
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Polypodoside A. The TPSA of 264.0 Ų indicates high polarity, suggesting Polypodoside A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Polypodoside A has 9 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 Polypodoside A?
The CAS number of Polypodoside A is 119784-25-7.
What is the molecular formula of Polypodoside A?
The molecular formula of Polypodoside A is C45H72O17.
What is the molecular weight of Polypodoside A?
The molecular weight of Polypodoside A is 884.48 g/mol.
Where can I buy Polypodoside A?
You can request a quote for Polypodoside A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Polypodoside A?
Yes, KEHONG BIO provides custom synthesis services for Polypodoside A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.