Lanatoside D
TL;DR: Lanatoside D (CAS 11030-31-2) is a chemical compound with molecular formula C49H76O21 and molecular weight 1000.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[4-hydroxy-6-[4-hydroxy-2-methyl-6-[[12,14,16-trihydroxy-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]oxan-3-yl]oxy-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 D, Lanatosid D [German], Diginatigenin + zuckerkette wie bei lanatosid A [German], [6-[4-hydroxy-6-[4-hydroxy-2-methyl-6-[[12,14,16-trihydroxy-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]oxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate, [(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-4-hydroxy-6-[(2R,3S,4S,6R)-4-hydroxy-2-methyl-6-[[(8R,9S,10S,13S,17R)-12,14,16-trihydroxy-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]oxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate
| Molecular Formula | C49H76O21 |
|---|---|
| Molecular Weight | 1000.49 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 309.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 12 |
| Exact Mass | 1000.4879 |
| Heavy Atoms | 70 |
| Complexity | 1910.0 |
Chemical Identifiers
| CAS Number | 11030-31-2 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CC(C5(C4(CC(C5C6=CC(=O)OC6)O)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 | CMJNCFRBMBTRSY-UHFFFAOYSA-N |
Product Overview
Lanatoside D (CAS 11030-31-2), with molecular formula C49H76O21 and molecular weight 1000.49 g/mol. IUPAC: [6-[4-hydroxy-6-[4-hydroxy-2-methyl-6-[[12,14,16-trihydroxy-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]oxan-3-yl]oxy-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 Lanatoside D
Property Insights of Lanatoside D
The XLogP value of -0.7 indicates that Lanatoside D is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 309.0 Ų indicates high polarity, suggesting Lanatoside D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Lanatoside D has 9 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Lanatoside D?
The CAS number of Lanatoside D is 11030-31-2.
What is the molecular formula of Lanatoside D?
The molecular formula of Lanatoside D is C49H76O21.
What is the molecular weight of Lanatoside D?
The molecular weight of Lanatoside D is 1000.49 g/mol.
Where can I buy Lanatoside D?
You can request a quote for Lanatoside D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lanatoside D?
Yes, KEHONG BIO provides custom synthesis services for Lanatoside D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.