Cantalasaponin 3
TL;DR: Cantalasaponin 3 (CAS 103735-23-5) is a chemical compound with molecular formula C50H82O22 and molecular weight 1034.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-hydroxy-6-(hydroxymethyl)-2-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4-tetrol
Also Known As: Cantalasaponin 3, 5-[4-hydroxy-6-(hydroxymethyl)-2-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4-tetrol, 5-(4-hydroxy-6-(hydroxymethyl)-2-(5',7,9,13-tetramethylspiro(5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icosane-6,2'-oxane)-16-yl)oxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl)oxy-6-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxycyclohexane-1,2,3,4-tetrol, spirostan-3-yl 2-O-[2-(hexopyranosyloxy)-3,4,5,6-tetrahydroxycyclohexyl]-4-O-pentopyranosylhexopyranoside
| Molecular Formula | C50H82O22 |
|---|---|
| Molecular Weight | 1034.53 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 346.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 10 |
| Exact Mass | 1034.5298 |
| Heavy Atoms | 72 |
| Complexity | 1860.0 |
Chemical Identifiers
| CAS Number | 103735-23-5 |
|---|---|
| SMILES | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(CO8)O)O)O)O)OC9C(C(C(C(C9OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O)C)C)C)OC1 |
| InChIKey | FYOUZAVGEYRIAZ-UHFFFAOYSA-N |
Product Overview
Cantalasaponin 3 (CAS 103735-23-5), with molecular formula C50H82O22 and molecular weight 1034.53 g/mol. IUPAC: 5-[4-hydroxy-6-(hydroxymethyl)-2-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4-tetrol.
Chemical Property Profile of Cantalasaponin 3
Property Insights of Cantalasaponin 3
The XLogP value of -1.5 indicates that Cantalasaponin 3 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 346.0 Ų indicates high polarity, suggesting Cantalasaponin 3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cantalasaponin 3 has 13 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cantalasaponin 3?
The CAS number of Cantalasaponin 3 is 103735-23-5.
What is the molecular formula of Cantalasaponin 3?
The molecular formula of Cantalasaponin 3 is C50H82O22.
What is the molecular weight of Cantalasaponin 3?
The molecular weight of Cantalasaponin 3 is 1034.53 g/mol.
Where can I buy Cantalasaponin 3?
You can request a quote for Cantalasaponin 3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cantalasaponin 3?
Yes, KEHONG BIO provides custom synthesis services for Cantalasaponin 3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.