Strophanthidin 3-diglucosylcymarose
TL;DR: Strophanthidin 3-diglucosylcymarose (CAS 33279-57-1) is a chemical compound with molecular formula C42H64O19 and molecular weight 872.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5R,6R)-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: k-Strophanthoside, Strophanthidin 3-diglucosylcymarose, (3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5R,6R)-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
| Molecular Formula | C42H64O19 |
|---|---|
| Molecular Weight | 872.40 g/mol |
| LogP | -2.9 |
| Topological Polar Surface Area | 290.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 11 |
| Exact Mass | 872.4042 |
| Heavy Atoms | 61 |
| Complexity | 1630.0 |
Chemical Identifiers
| CAS Number | 33279-57-1 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O |
| InChIKey | CTNPHHZPAJYPFO-QFLJTSPFSA-N |
Product Overview
Strophanthidin 3-diglucosylcymarose (CAS 33279-57-1), with molecular formula C42H64O19 and molecular weight 872.40 g/mol. IUPAC: (3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5R,6R)-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde.
Chemical Property Profile of Strophanthidin 3-diglucosylcymarose
Property Insights of Strophanthidin 3-diglucosylcymarose
The XLogP value of -2.9 indicates that Strophanthidin 3-diglucosylcymarose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 290.0 Ų indicates high polarity, suggesting Strophanthidin 3-diglucosylcymarose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Strophanthidin 3-diglucosylcymarose 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 Strophanthidin 3-diglucosylcymarose?
The CAS number of Strophanthidin 3-diglucosylcymarose is 33279-57-1.
What is the molecular formula of Strophanthidin 3-diglucosylcymarose?
The molecular formula of Strophanthidin 3-diglucosylcymarose is C42H64O19.
What is the molecular weight of Strophanthidin 3-diglucosylcymarose?
The molecular weight of Strophanthidin 3-diglucosylcymarose is 872.40 g/mol.
Where can I buy Strophanthidin 3-diglucosylcymarose?
You can request a quote for Strophanthidin 3-diglucosylcymarose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Strophanthidin 3-diglucosylcymarose?
Yes, KEHONG BIO provides custom synthesis services for Strophanthidin 3-diglucosylcymarose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.