Lliumoside C
TL;DR: Lliumoside C (CAS 56126-13-7) is a chemical compound with molecular formula C63H104O31 and molecular weight 1356.66 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(4S,6R,7S,8R,9S,13R)-6-hydroxy-7,9,13-trimethyl-6-[3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: Lliumoside C, (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(4S,6R,7S,8R,9S,13R)-6-hydroxy-7,9,13-trimethyl-6-[3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol, (2S,2'S,2''S,3R,3'R,3''R,4R,4'R,4''R,5R,5'R,5''R,6S,6'S,6''S)-6,6',6''-(((2R,3R,4S,5R,6R)-2-((6aR,8aS,8bR,9S,10R,11aS)-10-hydroxy-6a,8a,9-trimethyl-10-(3-methyl-4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)butyl)-3,4,5,6,6a,6b,7,8,8a,8b,9,10,11a,12,12a,12b-hexadecahydro-1H-naphtho[2',1':4,5]indeno[2,1-b]furan-4-yl)-6-(hydroxymethyl)-2-(((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl)tris(oxy))tris(2-methyltetrahydro-2H-pyran-3,4,5-triol), beta-D-Glucopyranoside, (3-beta,22-alpha)-26-(beta-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-6-deoxy-alpha-L-mannopyranosyl-(1-6)-O-beta-D-galactopyranosyl-(1-6)-
| Molecular Formula | C63H104O31 |
|---|---|
| Molecular Weight | 1356.66 g/mol |
| LogP | -5.7102 |
| Topological Polar Surface Area | 495.13 Ų |
| Hydrogen Bond Donors | 19 |
| Hydrogen Bond Acceptors | 31 |
| Rotatable Bonds | 18 |
| Exact Mass | 1356.6561 |
| Heavy Atoms | 94 |
| Complexity | 2559.8013 |
Chemical Identifiers
| CAS Number | 56126-13-7 |
|---|---|
| SMILES | C[C@H]1[C@H]2[C@H](CC3[C@@]2(CCC4C3CC=C5[C@@]4(CCC(C5)[C@]6([C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C)C)O[C@@]1(CCC(C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O |
Product Overview
Lliumoside C (CAS 56126-13-7), with molecular formula C63H104O31 and molecular weight 1356.66 g/mol. IUPAC: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(4S,6R,7S,8R,9S,13R)-6-hydroxy-7,9,13-trimethyl-6-[3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol.
Chemical Property Profile of Lliumoside C
Property Insights of Lliumoside C
The XLogP value of -5.7102 indicates that Lliumoside C is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 495.13 Ų indicates high polarity, suggesting Lliumoside C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Lliumoside C has 19 hydrogen bond donor(s) and 31 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Lliumoside C?
The CAS number of Lliumoside C is 56126-13-7.
What is the molecular formula of Lliumoside C?
The molecular formula of Lliumoside C is C63H104O31.
What is the molecular weight of Lliumoside C?
The molecular weight of Lliumoside C is 1356.66 g/mol.
Where can I buy Lliumoside C?
You can request a quote for Lliumoside C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lliumoside C?
Yes, KEHONG BIO provides custom synthesis services for Lliumoside C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.