Maesasaponin V2
TL;DR: Maesasaponin V2 (CAS 259868-88-7) is a chemical compound with molecular formula C64H102O28 and molecular weight 1318.66 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R,4S,5R,10S,13R,17S,21R,22R,23S)-2-acetyloxy-10-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-23-hydroxy-4,5,9,9,13,20,20-heptamethyl-22-propanoyloxy-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-21-yl] (E)-2-methylbut-2-enoate
Also Known As: Maesasaponin V2, ((1R,2R,4S,5R,10S,13R,17S,21R,22R,23S)-2-acetyloxy-10-((2R,3R,4S,5R,6R)-4-((2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)oxy-5-hydroxy-6-(hydroxymethyl)-3-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyoxan-2-yl)oxy-23-hydroxy-4,5,9,9,13,20,20-heptamethyl-22-propanoyloxy-24-oxahexacyclo(15.5.2.01,18.04,17.05,14.08,13)tetracosan-21-yl) (E)-2-methylbut-2-enoate, (2S,3S,4S,5R,6R)-6-(((1R,2R,4S,5R,8R,10S,13R,14R,17S,18R,21R,22R,23S)-2-(acetyloxy)-23-hydroxy-4,5,9,9,13,20,20-heptamethyl-21-(((2Z)-2-methylbut-2-enoyl)oxy)-22-(propanoyloxy)-24-oxahexacyclo(15.5.2.0,.0,.0,.0,)tetracosan-10-yl)oxy)-4-(((2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5S,6R)-3,4,5,6-tetrahydroxyoxan-2-yl)oxy)oxan-2-yl)oxy)-3-hydroxy-5-(((1R,2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl)oxy)oxane-2-carboxylate, (2S,3S,4S,5R,6R)-6-{[(1R,2R,4S,5R,8R,10S,13R,14R,17S,18R,21R,22R,23S)-2-(acetyloxy)-23-hydroxy-4,5,9,9,13,20,20-heptamethyl-21-{[(2Z)-2-methylbut-2-enoyl]oxy}-22-(propanoyloxy)-24-oxahexacyclo[15.5.2.0,.0,.0,.0,]tetracosan-10-yl]oxy}-4-{[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5S,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-5-{[(1R,2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}oxane-2-carboxylate, [(1R,2R,4S,5R,10S,13R,17S,21R,22R,23S)-2-acetyloxy-10-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-23-hydroxy-4,5,9,9,13,20,20-heptamethyl-22-propanoyloxy-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-21-yl] (E)-2-methylbut-2-enoate
| Molecular Formula | C64H102O28 |
|---|---|
| Molecular Weight | 1318.66 g/mol |
| LogP | -1.0143 |
| Topological Polar Surface Area | 424.96 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 28 |
| Rotatable Bonds | 16 |
| Exact Mass | 1318.6558 |
| Heavy Atoms | 92 |
| Complexity | 2679.2817 |
Chemical Identifiers
| CAS Number | 259868-88-7 |
|---|---|
| SMILES | CCC(=O)O[C@H]1[C@@H](C(CC2[C@@]13[C@@H](C[C@@]4([C@@]2(CCC5[C@]4(CCC6[C@@]5(CC[C@@H](C6(C)C)O[C@H]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[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C)C)O[C@@H]3O)C)OC(=O)C)(C)C)OC(=O)/C(=C/C)/C |
Product Overview
Maesasaponin V2 (CAS 259868-88-7), with molecular formula C64H102O28 and molecular weight 1318.66 g/mol. IUPAC: [(1R,2R,4S,5R,10S,13R,17S,21R,22R,23S)-2-acetyloxy-10-[(2R,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-23-hydroxy-4,5,9,9,13,20,20-heptamethyl-22-propanoyloxy-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosan-21-yl] (E)-2-methylbut-2-enoate.
Chemical Property Profile of Maesasaponin V2
Property Insights of Maesasaponin V2
The XLogP value of -1.0143 indicates that Maesasaponin V2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 424.96 Ų indicates high polarity, suggesting Maesasaponin V2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Maesasaponin V2 has 13 hydrogen bond donor(s) and 28 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Maesasaponin V2?
The CAS number of Maesasaponin V2 is 259868-88-7.
What is the molecular formula of Maesasaponin V2?
The molecular formula of Maesasaponin V2 is C64H102O28.
What is the molecular weight of Maesasaponin V2?
The molecular weight of Maesasaponin V2 is 1318.66 g/mol.
Where can I buy Maesasaponin V2?
You can request a quote for Maesasaponin V2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Maesasaponin V2?
Yes, KEHONG BIO provides custom synthesis services for Maesasaponin V2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.