毛花苷C
TL;DR: 毛花苷C (CAS 17575-22-3) is a chemical compound with molecular formula C49H76O20 and molecular weight 984.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
毛花苷C
[6-[6-[6-[[12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-2-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate
Also Known As: lanatoside C, Isolanid, Digilanide C, Cedilanid, Ceglunate
| Molecular Formula | C49H76O20 |
|---|---|
| Molecular Weight | 984.49 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 288.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 12 |
| Exact Mass | 984.493 |
| Heavy Atoms | 69 |
| Complexity | 1870.0 |
Chemical Identifiers
| CAS Number | 17575-22-3 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CC(C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)OC(=O)C)O |
| InChIKey | JAYAGJDXJIDEKI-UHFFFAOYSA-N |
Product Overview
毛花苷C (CAS 17575-22-3), with molecular formula C49H76O20 and molecular weight 984.49 g/mol. IUPAC: [6-[6-[6-[[12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-2-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate.
Chemical Property Profile of 毛花苷C
Property Insights of 毛花苷C
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 毛花苷C. The TPSA of 288.0 Ų indicates high polarity, suggesting 毛花苷C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 毛花苷 C has 8 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 毛花苷 C?
The CAS number of 毛花苷 C is 17575-22-3.
What is the molecular formula of 毛花苷 C?
The molecular formula of 毛花苷 C is C49H76O20.
What is the molecular weight of 毛花苷 C?
The molecular weight of 毛花苷 C is 984.49 g/mol.
Where can I buy 毛花苷 C?
You can request a quote for 毛花苷 C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 毛花苷 C?
Yes, KEHONG BIO provides custom synthesis services for 毛花苷 C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.