Halityloside D
TL;DR: Halityloside D (CAS 102046-49-1) is a chemical compound with molecular formula C39H68O14 and molecular weight 760.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4R,5S,6S,8S,9R,10S,13R,14S,15R,17R)-17-[(2R,5S)-5-[(2R,3R,4S,5S)-4-hydroxy-3-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethoxyoxan-2-yl]oxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,4,6,8,15-pentol
Also Known As: Halityloside D, Culcitoside C1, Culcitoside C6, (-)-Culcitoside C1, 4beta-Hydroxyhalityloside E
| Molecular Formula | C39H68O14 |
|---|---|
| Molecular Weight | 760.46 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 217.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 12 |
| Exact Mass | 760.4609 |
| Heavy Atoms | 53 |
| Complexity | 1230.0 |
Chemical Identifiers
| CAS Number | 102046-49-1 |
|---|---|
| SMILES | C[C@H](CC[C@@H](C(C)C)O[C@H]1[C@@H]([C@H]([C@@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@@H](CO2)OC)O)OC)[C@H]3C[C@H]([C@@H]4[C@@]3(CC[C@H]5[C@]4(C[C@@H]([C@@H]6[C@@]5(CC[C@@H]([C@@H]6O)O)C)O)O)C)O |
| InChIKey | WRQWUNHMUXGXID-RNZYKZAGSA-N |
Product Overview
Halityloside D (CAS 102046-49-1), with molecular formula C39H68O14 and molecular weight 760.46 g/mol. IUPAC: (3S,4R,5S,6S,8S,9R,10S,13R,14S,15R,17R)-17-[(2R,5S)-5-[(2R,3R,4S,5S)-4-hydroxy-3-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethoxyoxan-2-yl]oxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,4,6,8,15-pentol.
Chemical Property Profile of Halityloside D
Property Insights of Halityloside D
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Halityloside D. The TPSA of 217.0 Ų indicates high polarity, suggesting Halityloside D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Halityloside D has 8 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Halityloside D?
The CAS number of Halityloside D is 102046-49-1.
What is the molecular formula of Halityloside D?
The molecular formula of Halityloside D is C39H68O14.
What is the molecular weight of Halityloside D?
The molecular weight of Halityloside D is 760.46 g/mol.
Where can I buy Halityloside D?
You can request a quote for Halityloside D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Halityloside D?
Yes, KEHONG BIO provides custom synthesis services for Halityloside D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.