Alliumoside D
TL;DR: Alliumoside D (CAS 56190-05-7) is a chemical compound with molecular formula C63H104O32 and molecular weight 1372.65 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]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Also Known As: Alliumoside D, 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-(1-6)-O-6-beta-D-glucopyranosyl-(1-2)-O-beta-D-glucopyranosyl-(1-3)-, (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)-5-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-6-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-4-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl)oxy-6-methyloxane-3,4,5-triol
| Molecular Formula | C63H104O32 |
|---|---|
| Molecular Weight | 1372.65 g/mol |
| LogP | -6.7378 |
| Topological Polar Surface Area | 515.36 Ų |
| Hydrogen Bond Donors | 20 |
| Hydrogen Bond Acceptors | 32 |
| Rotatable Bonds | 19 |
| Exact Mass | 1372.6511 |
| Heavy Atoms | 95 |
| Complexity | 2577.065 |
Chemical Identifiers
| CAS Number | 56190-05-7 |
|---|---|
| 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)CO)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
Alliumoside D (CAS 56190-05-7), with molecular formula C63H104O32 and molecular weight 1372.65 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]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol.
Chemical Property Profile of Alliumoside D
Property Insights of Alliumoside D
The XLogP value of -6.7378 indicates that Alliumoside D is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 515.36 Ų indicates high polarity, suggesting Alliumoside D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Alliumoside D has 20 hydrogen bond donor(s) and 32 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Alliumoside D?
The CAS number of Alliumoside D is 56190-05-7.
What is the molecular formula of Alliumoside D?
The molecular formula of Alliumoside D is C63H104O32.
What is the molecular weight of Alliumoside D?
The molecular weight of Alliumoside D is 1372.65 g/mol.
Where can I buy Alliumoside D?
You can request a quote for Alliumoside D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alliumoside D?
Yes, KEHONG BIO provides custom synthesis services for Alliumoside D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.