Antialloside
TL;DR: Antialloside (CAS 3981-17-7) is a chemical compound with molecular formula C29H44O10 and molecular weight 552.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5,12,14-trihydroxy-10,13-dimethyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: Antialloside, Antiogoside, 3-[5,12,14-trihydroxy-10,13-dimethyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
| Molecular Formula | C29H44O10 |
|---|---|
| Molecular Weight | 552.29 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 552.29346 |
| Heavy Atoms | 39 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 3981-17-7 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2CCC3(C4CC(C5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)O)C)O)O)O |
| InChIKey | VRDSLDHRGHMDAC-UHFFFAOYSA-N |
Product Overview
Antialloside (CAS 3981-17-7), with molecular formula C29H44O10 and molecular weight 552.29 g/mol. IUPAC: 3-[5,12,14-trihydroxy-10,13-dimethyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of Antialloside
Property Insights of Antialloside
The XLogP value of -1.1 indicates that Antialloside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 166.0 Ų indicates high polarity, suggesting Antialloside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Antialloside has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Antialloside?
The CAS number of Antialloside is 3981-17-7.
What is the molecular formula of Antialloside?
The molecular formula of Antialloside is C29H44O10.
What is the molecular weight of Antialloside?
The molecular weight of Antialloside is 552.29 g/mol.
Where can I buy Antialloside?
You can request a quote for Antialloside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Antialloside?
Yes, KEHONG BIO provides custom synthesis services for Antialloside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.