Melandrioside A
TL;DR: Melandrioside A (CAS 142628-19-1) is a chemical compound with molecular formula C47H72O19 and molecular weight 940.4668 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[(4-formyl-10-hydroxy-4,6a,6b,11,11,14b-hexamethyl-8-oxo-1,2,3,4a,5,6,7,8a,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxane-2-carboxylic acid
Also Known As: Melandrioside A, 6-[(4-formyl-10-hydroxy-4,6a,6b,11,11,14b-hexamethyl-8-oxo-1,2,3,4a,5,6,7,8a,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxane-2-carboxylic acid, 3-O-(beta-D-Galactopyranosyl-(1-2)-(alpha-L-rhamnopyranosyl-(1-4))-beta-D-glucopyranosyl)melandrigenin, 4-Formyl-10-hydroxy-4,6a,6b,11,11,14b-hexamethyl-8-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl 6-deoxyhexopyranosyl-(1->3)-[hexopyranosyl-(1->2)]hexopyranosiduronic acid, beta-D-Glucopyranosiduronic acid, (3beta,4alpha,17alpha,21beta)-21-hydroxy-16,23-dioxo-28-norolean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-(beta-D-galactopyranosyl-(1-2))-
Technical Specifications
| Molecular Formula | C47H72O19 |
| Molecular Weight | 940.4668 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 309.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 9 |
| Exact Mass | 940.4668 Da |
| Heavy Atoms | 66 |
| Complexity | 1880.0 |
| SMILES | CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)OC4CCC5(C(C4(C)C=O)CCC6(C5CC=C7C6(CC(=O)C8C7CC(C(C8)O)(C)C)C)C)C)C(=O)O)O)O)O)O |
| InChIKey | RJMAQKQCAFVGQF-UHFFFAOYSA-N |
Chemical Property Profile of Melandrioside A
Property Insights of Melandrioside A
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Melandrioside A. The TPSA of 309.0 Ų indicates high polarity, suggesting Melandrioside A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Melandrioside A has 10 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Melandrioside A?
The CAS number of Melandrioside A is 142628-19-1.
What is the molecular formula of Melandrioside A?
The molecular formula of Melandrioside A is C47H72O19.
What is the molecular weight of Melandrioside A?
The molecular weight of Melandrioside A is 940.4668 g/mol.
Where can I buy Melandrioside A?
You can request a quote for Melandrioside A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Melandrioside A?
Yes, CoreyChem provides custom synthesis services for Melandrioside A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.