Gypenoside XLVI
TL;DR: Gypenoside XLVI (CAS 94705-70-1) is a chemical compound with molecular formula C47H80O18 and molecular weight 932.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[12-hydroxy-4,4,8,14-tetramethyl-17-[6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-1,2,3,5,6,7,9,10,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Gypenoside XLVI, (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[12-hydroxy-4,4,8,14-tetramethyl-17-[6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-1,2,3,5,6,7,9,10,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
| Molecular Formula | C47H80O18 |
|---|---|
| Molecular Weight | 932.53 g/mol |
| LogP | -0.4169 |
| Topological Polar Surface Area | 298.14 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 13 |
| Exact Mass | 932.5345 |
| Heavy Atoms | 65 |
| Complexity | 1628.3812 |
Chemical Identifiers
| CAS Number | 94705-70-1 |
|---|---|
| SMILES | CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C |
Product Overview
Gypenoside XLVI (CAS 94705-70-1), with molecular formula C47H80O18 and molecular weight 932.53 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[12-hydroxy-4,4,8,14-tetramethyl-17-[6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-1,2,3,5,6,7,9,10,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Gypenoside XLVI
Property Insights of Gypenoside XLVI
The XLogP value of -0.4169 indicates that Gypenoside XLVI is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 298.14 Ų indicates high polarity, suggesting Gypenoside XLVI may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gypenoside XLVI has 12 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Gypenoside XLVI?
The CAS number of Gypenoside XLVI is 94705-70-1.
What is the molecular formula of Gypenoside XLVI?
The molecular formula of Gypenoside XLVI is C47H80O18.
What is the molecular weight of Gypenoside XLVI?
The molecular weight of Gypenoside XLVI is 932.53 g/mol.
Where can I buy Gypenoside XLVI?
You can request a quote for Gypenoside XLVI directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gypenoside XLVI?
Yes, KEHONG BIO provides custom synthesis services for Gypenoside XLVI and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.