Acetyltylophoroside
TL;DR: Acetyltylophoroside (CAS 135247-54-0) is a chemical compound with molecular formula C50H74O23 and molecular weight 1042.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R,4aS,4bR,8R,8aS,9S,10aR)-1,8-diacetyloxy-7-[(2S,4S,5R,6S)-5-[(2S,3R,4R,5R,6S)-3-acetyloxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-2-[(2S)-2-methoxy-2-methyl-5-oxofuran-3-yl]-2,4b-dimethyl-1,3,4,4a,5,8,8a,9,10,10a-decahydrophenanthren-9-yl] acetate
Also Known As: Acetyltylophoroside, [(1R,2R,4aS,4bR,8R,8aS,9S,10aR)-1,8-diacetyloxy-7-[(2S,4S,5R,6S)-5-[(2S,3R,4R,5R,6S)-3-acetyloxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-2-[(2S)-2-methoxy-2-methyl-5-oxofuran-3-yl]-2,4b-dimethyl-1,3,4,4a,5,8,8a,9,10,10a-decahydrophenanthren-9-yl] acetate, 5-Methoxy-5-methyl-4-(1,8,9-tris(acetyloxy)-7-((O-beta-D-glucopyranosyl)-(1-4)-O-2-O-acetyl-6-deoxy-3-O-methyl-alpha-L-talopyranosyl-(1-4)-2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl)oxy)-1,2,3,4,4a,4b,5,8,8a,9,10,10a-2(5H)-furanone, ((1R,2R,4aS,4bR,8R,8aS,9S,10aR)-1,8-diacetyloxy-7-((2S,4S,5R,6S)-5-((2S,3R,4R,5R,6S)-3-acetyloxy-4-methoxy-6-methyl-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl)oxy-2-((2S)-2-methoxy-2-methyl-5-oxofuran-3-yl)-2,4b-dimethyl-1,3,4,4a,5,8,8a,9,10,10a-decahydrophenanthren-9-yl) acetate, [(1R,2R,4aS,4bR,8R,8aS,9S,10aR)-1,8-diacetyloxy-7-[(2S,4S,5R,6S)-5-[(2S,3R,4R,5R,6S)-3-acetyloxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-2-[(2S)-2-methoxy-2-methyl
| Molecular Formula | C50H74O23 |
|---|---|
| Molecular Weight | 1042.46 g/mol |
| LogP | 1.4019 |
| Topological Polar Surface Area | 295.49 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 15 |
| Exact Mass | 1042.462 |
| Heavy Atoms | 73 |
| Complexity | 2096.5608 |
Chemical Identifiers
| CAS Number | 135247-54-0 |
|---|---|
| SMILES | C[C@H]1[C@H]([C@H](C[C@@H](O1)OC2=CC[C@@]3([C@H]4CC[C@]([C@@H]([C@@H]4C[C@@H]([C@H]3[C@H]2OC(=O)C)OC(=O)C)OC(=O)C)(C)C5=CC(=O)O[C@]5(C)OC)C)OC)O[C@H]6[C@@H]([C@@H]([C@@H]([C@@H](O6)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)OC)OC(=O)C |
Product Overview
Acetyltylophoroside (CAS 135247-54-0), with molecular formula C50H74O23 and molecular weight 1042.46 g/mol. IUPAC: [(1R,2R,4aS,4bR,8R,8aS,9S,10aR)-1,8-diacetyloxy-7-[(2S,4S,5R,6S)-5-[(2S,3R,4R,5R,6S)-3-acetyloxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-2-[(2S)-2-methoxy-2-methyl-5-oxofuran-3-yl]-2,4b-dimethyl-1,3,4,4a,5,8,8a,9,10,10a-decahydrophenanthren-9-yl] acetate.
Chemical Property Profile of Acetyltylophoroside
Property Insights of Acetyltylophoroside
The XLogP value of 1.4019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetyltylophoroside. The TPSA of 295.49 Ų indicates high polarity, suggesting Acetyltylophoroside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetyltylophoroside has 4 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetyltylophoroside?
The CAS number of Acetyltylophoroside is 135247-54-0.
What is the molecular formula of Acetyltylophoroside?
The molecular formula of Acetyltylophoroside is C50H74O23.
What is the molecular weight of Acetyltylophoroside?
The molecular weight of Acetyltylophoroside is 1042.46 g/mol.
Where can I buy Acetyltylophoroside?
You can request a quote for Acetyltylophoroside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetyltylophoroside?
Yes, KEHONG BIO provides custom synthesis services for Acetyltylophoroside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.