去乙酰毛花苷
TL;DR: 去乙酰毛花苷 (CAS 17598-65-1) is a chemical compound with molecular formula C47H74O19 and molecular weight 942.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
去乙酰毛花苷
3-[12,14-dihydroxy-3-[4-hydroxy-5-[4-hydroxy-5-[4-hydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: deslanoside, Deacetyl-lanatoside C, Digilanide C, deacetyl-, Lanatoside C, deacetyl-, 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-12,14-dihydroxy-3-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6R)-4-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
| Molecular Formula | C47H74O19 |
|---|---|
| Molecular Weight | 942.48 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 282.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 10 |
| Exact Mass | 942.4824 |
| Heavy Atoms | 66 |
| Complexity | 1760.0 |
Chemical Identifiers
| CAS Number | 17598-65-1 |
|---|---|
| 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)O)O |
| InChIKey | OBATZBGFDSVCJD-UHFFFAOYSA-N |
Product Overview
去乙酰毛花苷 (CAS 17598-65-1), with molecular formula C47H74O19 and molecular weight 942.48 g/mol. IUPAC: 3-[12,14-dihydroxy-3-[4-hydroxy-5-[4-hydroxy-5-[4-hydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of 去乙酰毛花苷
Property Insights of 去乙酰毛花苷
The XLogP value of -0.3 indicates that 去乙酰毛花苷 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 282.0 Ų indicates high polarity, suggesting 去乙酰毛花苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 去乙酰毛花苷 C has 9 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 去乙酰毛花苷 C?
The CAS number of 去乙酰毛花苷 C is 17598-65-1.
What is the molecular formula of 去乙酰毛花苷 C?
The molecular formula of 去乙酰毛花苷 C is C47H74O19.
What is the molecular weight of 去乙酰毛花苷 C?
The molecular weight of 去乙酰毛花苷 C is 942.48 g/mol.
Where can I buy 去乙酰毛花苷 C?
You can request a quote for 去乙酰毛花苷 C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 去乙酰毛花苷 C?
Yes, KEHONG BIO provides custom synthesis services for 去乙酰毛花苷 C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.