Chrysanthellin A
TL;DR: Chrysanthellin A (CAS 73039-13-1) is a chemical compound with molecular formula C58H94O25 and molecular weight 1190.61 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[5-[3,5-dihydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] 5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Also Known As: CHRYSANTHELLIN A, Chrysantellin A, [3-[5-[3,5-dihydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] 5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate, [(2R,3R,4S,5R)-3-[(2R,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-Dihydroxy-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bR)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate, O-6-Deoxy-alpha-L-mannopyranosyl-(1-->3)-O-beta-D-xylopyranosyl-(1-->4)-O-6-deoxy-alpha-L-mannopyranosyl-(1-->2)-alpha-D-xylopyranosyl (3beta,16alpha)-3-(beta-D-glucopyranosyloxy)-16-hydroxyolean-12-en-28-oate
| Molecular Formula | C58H94O25 |
|---|---|
| Molecular Weight | 1190.61 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 393.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 12 |
| Exact Mass | 1190.6084 |
| Heavy Atoms | 83 |
| Complexity | 2330.0 |
Chemical Identifiers
| CAS Number | 73039-13-1 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2C(COC(C2O)OC3C(OC(C(C3O)O)OC4C(C(COC4OC(=O)C56CCC(CC5C7=CCC8C9(CCC(C(C9CCC8(C7(CC6O)C)C)(C)C)OC1C(C(C(C(O1)CO)O)O)O)C)(C)C)O)O)C)O)O)O)O |
| InChIKey | IBEZGTWSSFFKNB-UHFFFAOYSA-N |
Product Overview
Chrysanthellin A (CAS 73039-13-1), with molecular formula C58H94O25 and molecular weight 1190.61 g/mol. IUPAC: [3-[5-[3,5-dihydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] 5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate.
Chemical Property Profile of Chrysanthellin A
Property Insights of Chrysanthellin A
The XLogP value of -0.2 indicates that Chrysanthellin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 393.0 Ų indicates high polarity, suggesting Chrysanthellin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chrysanthellin A has 14 hydrogen bond donor(s) and 25 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chrysanthellin A?
The CAS number of Chrysanthellin A is 73039-13-1.
What is the molecular formula of Chrysanthellin A?
The molecular formula of Chrysanthellin A is C58H94O25.
What is the molecular weight of Chrysanthellin A?
The molecular weight of Chrysanthellin A is 1190.61 g/mol.
Where can I buy Chrysanthellin A?
You can request a quote for Chrysanthellin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chrysanthellin A?
Yes, KEHONG BIO provides custom synthesis services for Chrysanthellin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.