Helianthoside 2
TL;DR: Helianthoside 2 (CAS 139077-64-8) is a chemical compound with molecular formula C64H104O30 and molecular weight 1352.66 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[3,4-dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] 5-hydroxy-10-[3-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Also Known As: Helianthoside 2, Helianthussaponin 2, AG 494, [3-[3,4-dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] 5-hydroxy-10-[3-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
| Molecular Formula | C64H104O30 |
|---|---|
| Molecular Weight | 1352.66 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 472.0 Ų |
| Hydrogen Bond Donors | 17 |
| Hydrogen Bond Acceptors | 30 |
| Rotatable Bonds | 15 |
| Exact Mass | 1352.6613 |
| Heavy Atoms | 94 |
| Complexity | 2660.0 |
Chemical Identifiers
| CAS Number | 139077-64-8 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(CO3)O)O)O)CO)OC4CCC5(C(C4(C)C)CCC6(C5CC=C7C6(CC(C8(C7CC(CC8)(C)C)C(=O)OC9C(C(C(CO9)O)O)OC1C(C(C(C(O1)C)OC1C(C(C(C(O1)CO)O)O)O)O)O)O)C)C)C)O)O)O)O |
| InChIKey | SNAUYRCWNWNXAE-UHFFFAOYSA-N |
Product Overview
Helianthoside 2 (CAS 139077-64-8), with molecular formula C64H104O30 and molecular weight 1352.66 g/mol. IUPAC: [3-[3,4-dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] 5-hydroxy-10-[3-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate.
Chemical Property Profile of Helianthoside 2
Property Insights of Helianthoside 2
The XLogP value of -2.3 indicates that Helianthoside 2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 472.0 Ų indicates high polarity, suggesting Helianthoside 2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Helianthoside 2 has 17 hydrogen bond donor(s) and 30 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Helianthoside 2?
The CAS number of Helianthoside 2 is 139077-64-8.
What is the molecular formula of Helianthoside 2?
The molecular formula of Helianthoside 2 is C64H104O30.
What is the molecular weight of Helianthoside 2?
The molecular weight of Helianthoside 2 is 1352.66 g/mol.
Where can I buy Helianthoside 2?
You can request a quote for Helianthoside 2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Helianthoside 2?
Yes, KEHONG BIO provides custom synthesis services for Helianthoside 2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.