Cleistanthoside A
TL;DR: Cleistanthoside A (CAS 86402-39-3) is a chemical compound with molecular formula C34H38O16 and molecular weight 702.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(1,3-benzodioxol-5-yl)-4-[(2S,3R,4S,5R)-4,5-dimethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one
Also Known As: Cleistanthoside A, J2.460.547G, Naphtho(2,3-c)furan-1(3H)-one, 9-(1,3-benzodioxol-5-yl)-4-((2-O-beta-D-glucopyranosyl-3,4-di-O-methyl-beta-D-xylopyranosyl)oxy)-6,7-dimethoxy-, Diphyllin O-(2-O-beta-D-glucopyranosyl-3,4-di-O-methyl-beta-D-xylopyranoside), 4-[(2-O-beta-D-Glucopyranosyl-3-O,4-O-dimethyl-beta-D-xylopyranosyl)oxy]-6,7-dimethoxy-9-(1,3-benzodioxole-5-yl)-1,3-dihydronaphtho[2,3-c]furan-1-one
| Molecular Formula | C34H38O16 |
|---|---|
| Molecular Weight | 702.22 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 200.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 702.216 |
| Heavy Atoms | 50 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 86402-39-3 |
|---|---|
| SMILES | CO[C@@H]1CO[C@H]([C@@H]([C@H]1OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC3=C4COC(=O)C4=C(C5=CC(=C(C=C53)OC)OC)C6=CC7=C(C=C6)OCO7 |
| InChIKey | JBVKVMLXAUHJEJ-LXOHQACASA-N |
Product Overview
Cleistanthoside A (CAS 86402-39-3), with molecular formula C34H38O16 and molecular weight 702.22 g/mol. IUPAC: 9-(1,3-benzodioxol-5-yl)-4-[(2S,3R,4S,5R)-4,5-dimethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one.
Chemical Property Profile of Cleistanthoside A
Property Insights of Cleistanthoside A
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cleistanthoside A. The TPSA of 200.0 Ų indicates high polarity, suggesting Cleistanthoside A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cleistanthoside A has 4 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cleistanthoside A?
The CAS number of Cleistanthoside A is 86402-39-3.
What is the molecular formula of Cleistanthoside A?
The molecular formula of Cleistanthoside A is C34H38O16.
What is the molecular weight of Cleistanthoside A?
The molecular weight of Cleistanthoside A is 702.22 g/mol.
Where can I buy Cleistanthoside A?
You can request a quote for Cleistanthoside A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cleistanthoside A?
Yes, KEHONG BIO provides custom synthesis services for Cleistanthoside A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.