Yadanzioside A
TL;DR: Yadanzioside A (CAS 95258-15-4) is a chemical compound with molecular formula C32H44O16 and molecular weight 684.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17R)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate
Also Known As: Yadanzioside A, YadanziosideA, Yadanziolide-A, methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17R)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate, methyl dihydroxy-dimethyl-(3-methylbutanoyloxy)-dioxo-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-[?]carboxylate
| Molecular Formula | C32H44O16 |
|---|---|
| Molecular Weight | 684.26 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 245.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 9 |
| Exact Mass | 684.26294 |
| Heavy Atoms | 48 |
| Complexity | 1380.0 |
Chemical Identifiers
| CAS Number | 95258-15-4 |
|---|---|
| SMILES | C[C@H]1[C@@H]2C[C@@H]3[C@@]45CO[C@]([C@@H]4[C@H](C(=O)O3)OC(=O)CC(C)C)([C@H]([C@@H]([C@@H]5[C@]2(C=C(C1=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)O)C(=O)OC |
| InChIKey | QDQJWSSPAMZRIA-AIWMZPBQSA-N |
Product Overview
Yadanzioside A (CAS 95258-15-4), with molecular formula C32H44O16 and molecular weight 684.26 g/mol. IUPAC: methyl (1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17R)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,10-dioxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylate.
Chemical Property Profile of Yadanzioside A
Property Insights of Yadanzioside A
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Yadanzioside A. The TPSA of 245.0 Ų indicates high polarity, suggesting Yadanzioside A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Yadanzioside A has 6 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 Yadanzioside A?
The CAS number of Yadanzioside A is 95258-15-4.
What is the molecular formula of Yadanzioside A?
The molecular formula of Yadanzioside A is C32H44O16.
What is the molecular weight of Yadanzioside A?
The molecular weight of Yadanzioside A is 684.26 g/mol.
Where can I buy Yadanzioside A?
You can request a quote for Yadanzioside A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Yadanzioside A?
Yes, KEHONG BIO provides custom synthesis services for Yadanzioside A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.