Marsdekoiside C
TL;DR: Marsdekoiside C (CAS 139502-16-2) is a chemical compound with molecular formula C46H76O18 and molecular weight 916.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[17-(1-acetyloxyethyl)-3-[5-[5-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,14,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthren-12-yl] acetate
Also Known As: Marsdekoiside C, [17-(1-acetyloxyethyl)-3-[5-[5-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,14,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthren-12-yl] acetate, 12,20-di-O-Acetyl-dihydrosarcostin-3-O-3-O-methyl-6-deoxy-beta-D-allopyranosyl-(1-4)-O-beta-D-oleandropyranosyl-(1-4)-O-beta-D-cymaropyranoside, 3-{[6-Deoxy-3-O-methylhexopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl-(1->4)-2,6-dideoxy-3-O-methylhexopyranosyl]oxy}-8,14,17-trihydroxypregnane-12,20-diyl diacetate, Pregnane-8,12,14,17,20-pentol, 3-((O-6-deoxy-3-O-methyl-beta-D-allopyranosyl-(1-4)-O-2,6-dideoxy-3-O-methyl-beta-D-arabino-hexopyranosyl-(1-4)-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy)-, 12,20-diacetate, (3beta,5alpha,12beta,14beta,17alpha,20S)-
| Molecular Formula | C46H76O18 |
|---|---|
| Molecular Weight | 916.50 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 237.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 14 |
| Exact Mass | 916.5032 |
| Heavy Atoms | 64 |
| Complexity | 1650.0 |
Chemical Identifiers
| CAS Number | 139502-16-2 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4CCC5(C(C4)CCC6(C5CC(C7(C6(CCC7(C(C)OC(=O)C)O)O)C)OC(=O)C)O)C)C)C)O)OC)O |
| InChIKey | QWXNVJDFMDISDX-UHFFFAOYSA-N |
Product Overview
Marsdekoiside C (CAS 139502-16-2), with molecular formula C46H76O18 and molecular weight 916.50 g/mol. IUPAC: [17-(1-acetyloxyethyl)-3-[5-[5-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-8,14,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthren-12-yl] acetate.
Chemical Property Profile of Marsdekoiside C
Property Insights of Marsdekoiside C
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Marsdekoiside C. The TPSA of 237.0 Ų indicates high polarity, suggesting Marsdekoiside C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Marsdekoiside C has 5 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Marsdekoiside C?
The CAS number of Marsdekoiside C is 139502-16-2.
What is the molecular formula of Marsdekoiside C?
The molecular formula of Marsdekoiside C is C46H76O18.
What is the molecular weight of Marsdekoiside C?
The molecular weight of Marsdekoiside C is 916.50 g/mol.
Where can I buy Marsdekoiside C?
You can request a quote for Marsdekoiside C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Marsdekoiside C?
Yes, KEHONG BIO provides custom synthesis services for Marsdekoiside C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.