Senegin II
TL;DR: Senegin II (CAS 34366-31-9) is a chemical compound with molecular formula C70H104O32 and molecular weight 1456.65 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8a-[3-[5-[3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5-[3-(3,4-dimethoxyphenyl)prop-2-enoyloxy]-4-hydroxy-6-methyloxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
Also Known As: Senegin II, (2S,3R,4S,4Ar,6aR,6bR,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxy-4-hydroxy-6-methyloxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid, 8a-[3-[5-[3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5-[3-(3,4-dimethoxyphenyl)prop-2-enoyloxy]-4-hydroxy-6-methyloxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
| Molecular Formula | C70H104O32 |
|---|---|
| Molecular Weight | 1456.65 g/mol |
| LogP | -2.2274 |
| Topological Polar Surface Area | 494.88 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 31 |
| Rotatable Bonds | 19 |
| Exact Mass | 1456.6511 |
| Heavy Atoms | 102 |
| Complexity | 3187.689 |
Chemical Identifiers
| CAS Number | 34366-31-9 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2C(C(C(OC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4)CO)(CCC7C6(CC(C(C7(C)C(=O)O)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)(C)C)C)OC(=O)C=CC9=CC(=C(C=C9)OC)OC)O)O)O)OC1C(C(C(CO1)OC1C(C(C(C(O1)CO)O)O)O)O)O |
Product Overview
Senegin II (CAS 34366-31-9), with molecular formula C70H104O32 and molecular weight 1456.65 g/mol. IUPAC: 8a-[3-[5-[3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5-[3-(3,4-dimethoxyphenyl)prop-2-enoyloxy]-4-hydroxy-6-methyloxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid.
Chemical Property Profile of Senegin II
Property Insights of Senegin II
The XLogP value of -2.2274 indicates that Senegin II is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 494.88 Ų indicates high polarity, suggesting Senegin II may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Senegin II has 16 hydrogen bond donor(s) and 31 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Senegin II?
The CAS number of Senegin II is 34366-31-9.
What is the molecular formula of Senegin II?
The molecular formula of Senegin II is C70H104O32.
What is the molecular weight of Senegin II?
The molecular weight of Senegin II is 1456.65 g/mol.
Where can I buy Senegin II?
You can request a quote for Senegin II directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Senegin II?
Yes, KEHONG BIO provides custom synthesis services for Senegin II and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.