Cyclocarioside A
TL;DR: Cyclocarioside A (CAS 146109-34-4) is a chemical compound with molecular formula C43H72O13 and molecular weight 796.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4R,5R)-3,4-dihydroxy-5-[[(10R,12S,14R)-17-[(2S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,7,10,14-pentamethyl-12-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxolan-2-yl]methyl acetate
Also Known As: Cyclocarioside A, [(2S,3R,4R,5R)-3,4-dihydroxy-5-[[(10R,12S,14R)-17-[(2S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,7,10,14-pentamethyl-12-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxolan-2-yl]methyl acetate, 20,24-Epoxydammarane-(3beta,12beta,24R)-12-O-alpha-L-rhamnopyranosyl-25-hydroxy-3-O-alpha-(5'-O-acetyl)-L-arabinofuranoside, 20,24-epoxydammarane-(3 beta,12 beta,24R)-12-O-alpha-L-rhamnopyranosyl-25-hydroxy-3-O-alpha-(5'-O-acetyl)-L-arabinofuranoside, alpha-L-Mannopyranoside, (3beta,12beta,24R)-3-((5-O-acetyl-alpha-L-arabinofuranosyl)oxy)-20,24-epoxy-25-hydroxy-dammaran-12-yl 6-deoxy-
| Molecular Formula | C43H72O13 |
|---|---|
| Molecular Weight | 796.50 g/mol |
| LogP | 3.4536 |
| Topological Polar Surface Area | 193.83 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 796.4973 |
| Heavy Atoms | 56 |
| Complexity | 1436.2585 |
Chemical Identifiers
| CAS Number | 146109-34-4 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC3C(C(CC4[C@@]3(CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H](O5)COC(=O)C)O)O)C)C)[C@@]6(C2C(CC6)[C@@]7(CCC(O7)C(C)(C)O)C)C)O)O)O |
Product Overview
Cyclocarioside A (CAS 146109-34-4), with molecular formula C43H72O13 and molecular weight 796.50 g/mol. IUPAC: [(2S,3R,4R,5R)-3,4-dihydroxy-5-[[(10R,12S,14R)-17-[(2S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,7,10,14-pentamethyl-12-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxolan-2-yl]methyl acetate.
Chemical Property Profile of Cyclocarioside A
Property Insights of Cyclocarioside A
The XLogP value of 3.4536 indicates that Cyclocarioside A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 193.83 Ų indicates high polarity, suggesting Cyclocarioside A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyclocarioside A has 6 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cyclocarioside A?
The CAS number of Cyclocarioside A is 146109-34-4.
What is the molecular formula of Cyclocarioside A?
The molecular formula of Cyclocarioside A is C43H72O13.
What is the molecular weight of Cyclocarioside A?
The molecular weight of Cyclocarioside A is 796.50 g/mol.
Where can I buy Cyclocarioside A?
You can request a quote for Cyclocarioside A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclocarioside A?
Yes, KEHONG BIO provides custom synthesis services for Cyclocarioside A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.