Vernadigin
TL;DR: Vernadigin (CAS 30285-47-3) is a chemical compound with molecular formula C30H44O10 and molecular weight 564.29 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,16S,17R)-5,14,16-trihydroxy-3-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-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: Vernadigin, Strophadogenin 3-O-beta-D-diginoside, Vernadigin (Strophadogenin-D-Diginose), J2.767.275B, (3S,5S,8R,9S,10S,13R,14S,16S,17R)-5,14,16-trihydroxy-3-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-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 | C30H44O10 |
|---|---|
| Molecular Weight | 564.29 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 564.29346 |
| Heavy Atoms | 40 |
| Complexity | 1060.0 |
Chemical Identifiers
| CAS Number | 30285-47-3 |
|---|---|
| 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]([C@H](C[C@@]5([C@@H]4CC[C@@]3(C2)O)O)O)C6=CC(=O)OC6)C)C=O)OC)O |
| InChIKey | NAQIOLFTZRJOKV-OBDZMSMTSA-N |
Product Overview
Vernadigin (CAS 30285-47-3), with molecular formula C30H44O10 and molecular weight 564.29 g/mol. IUPAC: (3S,5S,8R,9S,10S,13R,14S,16S,17R)-5,14,16-trihydroxy-3-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-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 Vernadigin
Property Insights of Vernadigin
The XLogP value of -0.1 indicates that Vernadigin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 152.0 Ų indicates high polarity, suggesting Vernadigin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Vernadigin has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Vernadigin?
The CAS number of Vernadigin is 30285-47-3.
What is the molecular formula of Vernadigin?
The molecular formula of Vernadigin is C30H44O10.
What is the molecular weight of Vernadigin?
The molecular weight of Vernadigin is 564.29 g/mol.
Where can I buy Vernadigin?
You can request a quote for Vernadigin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vernadigin?
Yes, KEHONG BIO provides custom synthesis services for Vernadigin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.