Sakurasosaponin
TL;DR: Sakurasosaponin (CAS 59527-84-3) is a chemical compound with molecular formula C60H98O27 and molecular weight 1250.63 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6R)-3-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-[[(2R,4S,5R,10S,13R,17S)-2-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl]oxy]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
Also Known As: Sakurasosaponin, HY-N7459, (2S,3S,4S,5R,6R)-3-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4R,5R,6S)-4,5-Dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-[[(2R,4S,5R,10S,13R,17S)-2-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl]oxy]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid, (2S,3S,4S,5R,6R)-3-(((2S,3R,4S,5R,6R)-3-(((2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-(((3S,6aR,6bS,8R,12bS,14bR)-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyloctadecahydro-1H,9H-12b,8a-(epoxymethano)picen-3-yl)oxy)-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid, (2S,3S,4S,5R,6R)-3-((2S,3R,4S,5R,6R)-3-((2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-4-hydroxy-6-(((2R,4S,5R,10S,13R,17S)-2-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo(15.5.2.01,18.04,17.05,14.08,13)tetracosan-10-yl)oxy)-5-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxane-2-carboxylic acid
| Molecular Formula | C60H98O27 |
|---|---|
| Molecular Weight | 1250.63 g/mol |
| LogP | -2.379 |
| Topological Polar Surface Area | 422.05 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 13 |
| Exact Mass | 1250.6295 |
| Heavy Atoms | 87 |
| Complexity | 2441.852 |
Chemical Identifiers
| CAS Number | 59527-84-3 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H](O[C@H]2O[C@@H]3[C@H]([C@H]([C@H](O[C@H]3O[C@H]4[C@@H]([C@H]([C@@H](O[C@@H]4C(=O)O)O[C@H]5CC[C@@]6(C7CC[C@@]89C1CC(CCC1(CO8)[C@@H](C[C@]9([C@@]7(CCC6C5(C)C)C)C)O)(C)C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)CO)O)O)C)O)O)O)O)O |
Product Overview
Sakurasosaponin (CAS 59527-84-3), with molecular formula C60H98O27 and molecular weight 1250.63 g/mol. IUPAC: (2S,3S,4S,5R,6R)-3-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-[[(2R,4S,5R,10S,13R,17S)-2-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-10-yl]oxy]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid.
Chemical Property Profile of Sakurasosaponin
Property Insights of Sakurasosaponin
The XLogP value of -2.379 indicates that Sakurasosaponin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 422.05 Ų indicates high polarity, suggesting Sakurasosaponin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sakurasosaponin has 15 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sakurasosaponin?
The CAS number of Sakurasosaponin is 59527-84-3.
What is the molecular formula of Sakurasosaponin?
The molecular formula of Sakurasosaponin is C60H98O27.
What is the molecular weight of Sakurasosaponin?
The molecular weight of Sakurasosaponin is 1250.63 g/mol.
Where can I buy Sakurasosaponin?
You can request a quote for Sakurasosaponin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sakurasosaponin?
Yes, KEHONG BIO provides custom synthesis services for Sakurasosaponin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.