Gypenoside XXV
TL;DR: Gypenoside XXV (CAS 81474-84-2) is a chemical compound with molecular formula C47H78O18 and molecular weight 930.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5S,8R,9S,10S,13R,14R,17S)-3-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-17-[(2S)-2-hydroxy-6-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-4,4,8,14-tetramethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: Gypenoside XXV, J2.767.466F, (3S,5S,8R,9S,10S,13R,14R,17S)-3-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-17-[(2S)-2-hydroxy-6-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-4,4,8,14-tetramethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde, (1S,3aR,3bR,5aS,7S,9aS,9bS,11aR)-7-{[(2S,3R,4S,5S)-4,5-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-1-[(2S)-2-hydroxy-6-methyl-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl]-3a,3b,6,6-tetramethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-9a-carbaldehyde, (3S,5S,8R,9S,10S,13R,14R,17S)-3-((2S,3R,4S,5S)-4,5-dihydroxy-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-2-yl)oxy-17-((2S)-2-hydroxy-6-methyl-1-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyhept-5-en-2-yl)-4,4,8,14-tetramethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthrene-10-carbaldehyde
| Molecular Formula | C47H78O18 |
|---|---|
| Molecular Weight | 930.52 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 295.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 14 |
| Exact Mass | 930.5188 |
| Heavy Atoms | 65 |
| Complexity | 1660.0 |
Chemical Identifiers
| CAS Number | 81474-84-2 |
|---|---|
| SMILES | CC(=CCC[C@@](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)([C@H]2CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@H](CO6)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C=O)C)C)O)C |
| InChIKey | KHPWSKNLAFECBO-NSMVKXLTSA-N |
Product Overview
Gypenoside XXV (CAS 81474-84-2), with molecular formula C47H78O18 and molecular weight 930.52 g/mol. IUPAC: (3S,5S,8R,9S,10S,13R,14R,17S)-3-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-17-[(2S)-2-hydroxy-6-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-4,4,8,14-tetramethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde.
Chemical Property Profile of Gypenoside XXV
Property Insights of Gypenoside XXV
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Gypenoside XXV. The TPSA of 295.0 Ų indicates high polarity, suggesting Gypenoside XXV may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gypenoside XXV has 11 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 XXV?
The CAS number of Gypenoside XXV is 81474-84-2.
What is the molecular formula of Gypenoside XXV?
The molecular formula of Gypenoside XXV is C47H78O18.
What is the molecular weight of Gypenoside XXV?
The molecular weight of Gypenoside XXV is 930.52 g/mol.
Where can I buy Gypenoside XXV?
You can request a quote for Gypenoside XXV directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gypenoside XXV?
Yes, KEHONG BIO provides custom synthesis services for Gypenoside XXV and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.