Macrostemonoside D
TL;DR: Macrostemonoside D (CAS 143049-27-8) is a chemical compound with molecular formula C53H86O24 and molecular weight 1106.5509 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6S)-5-hydroxy-6-(hydroxymethyl)-2-[(4S,5'R,7S,8R,9S,13S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxyoxan-2-yl]methyl acetate
Also Known As: Macrostemonoside D, Tigogenin 3-O-beta-D-glucopyranosyl(1-2)(beta-D-glucopyranosyl(1-3)(6-O-acetyl-beta-D-glucopyranosyl))(1-4)-beta-D-galactopyranoside, [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6S)-5-hydroxy-6-(hydroxymethyl)-2-[(4S,5'R,7S,8R,9S,13S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxyoxan-2-yl]methyl acetate, beta-D-Galactopyranoside, (3 beta,5alpha,25R)-spirostan-3-yl O-beta-D-glucopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-3))-O-6-O-acetyl-beta-D-glucopyranosyl-(1-4)-, beta-D-Galactopyranoside, (3beta,5alpha,25R)-spirostan-3-yl O-beta-D-glucopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-3))-O-6-O-acetyl-beta-D-glucopyranosyl-(1-4)-
Technical Specifications
| Molecular Formula | C53H86O24 |
| Molecular Weight | 1106.5509 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 372.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 13 |
| Exact Mass | 1106.5509 Da |
| Heavy Atoms | 77 |
| Complexity | 2040.0 |
| SMILES | C[C@@H]1CCC2([C@H]([C@H]3[C@@H](O2)CC4[C@@]3(CCC5C4CCC6[C@@]5(CCC(C6)[C@@]7([C@@H]([C@H]([C@H]([C@@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)O)O)O)C)C)C)OC1 |
| InChIKey | DYIQIQXTTUXBQD-DZYXBILISA-N |
Chemical Property Profile of Macrostemonoside D
Property Insights of Macrostemonoside D
The XLogP value of -0.2 indicates that Macrostemonoside D is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 372.0 Ų indicates high polarity, suggesting Macrostemonoside D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Macrostemonoside D has 13 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Macrostemonoside D?
The CAS number of Macrostemonoside D is 143049-27-8.
What is the molecular formula of Macrostemonoside D?
The molecular formula of Macrostemonoside D is C53H86O24.
What is the molecular weight of Macrostemonoside D?
The molecular weight of Macrostemonoside D is 1106.5509 g/mol.
Where can I buy Macrostemonoside D?
You can request a quote for Macrostemonoside D directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Macrostemonoside D?
Yes, CoreyChem provides custom synthesis services for Macrostemonoside D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.