psi-Caudoside
TL;DR: psi-Caudoside (CAS 559-58-0) is a chemical compound with molecular formula C30H44O9 and molecular weight 548.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3S,5R,10S,12S,13S,14S,17R)-12,14-dihydroxy-3-[(2S,5R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: psi-Caudoside, Pseudocaudoside, Caudosid [German], Pseudocaudoside (8CI), Card-20(22)-enolide, 3-((2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy)-12,14-dihydroxy-11-oxo-, (3-beta,5-beta,12-beta)-
| Molecular Formula | C30H44O9 |
|---|---|
| Molecular Weight | 548.30 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 548.2985 |
| Heavy Atoms | 39 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 559-58-0 |
|---|---|
| SMILES | CC1[C@H](C(C[C@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CCC4C3C(=O)[C@H]([C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)OC)O |
| InChIKey | NHHVCMQEIZXJDB-RSKCUQLVSA-N |
Product Overview
psi-Caudoside (CAS 559-58-0), with molecular formula C30H44O9 and molecular weight 548.30 g/mol. IUPAC: 3-[(3S,5R,10S,12S,13S,14S,17R)-12,14-dihydroxy-3-[(2S,5R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of psi-Caudoside
Property Insights of psi-Caudoside
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for psi-Caudoside. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for psi-Caudoside. Following Lipinski's Rule of Five, psi-Caudoside has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of psi-Caudoside?
The CAS number of psi-Caudoside is 559-58-0.
What is the molecular formula of psi-Caudoside?
The molecular formula of psi-Caudoside is C30H44O9.
What is the molecular weight of psi-Caudoside?
The molecular weight of psi-Caudoside is 548.30 g/mol.
Where can I buy psi-Caudoside?
You can request a quote for psi-Caudoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for psi-Caudoside?
Yes, KEHONG BIO provides custom synthesis services for psi-Caudoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.