Nodososide
TL;DR: Nodososide (CAS 83210-62-2) is a chemical compound with molecular formula C38H66O14 and molecular weight 746.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5R,6R,9R,10R,13R,14S,15S,17S)-17-[(2R)-5-[(2R,3R,4S,5S)-3-[(2S,3R,4S,5R)-4,5-dihydroxy-3-methoxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,6,7,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,5,6,8,15-pentol
Also Known As: Nodososide, Prepepsinogen, Cholestane-3,5,6,8,15-pentol, 24-((2-O-(2-O-methyl-beta-D-xylopyranosyl)-alpha-L-arabinofuranosyl)oxy)-, (3beta,5alpha,6beta,15alpha)-, 3,5,6,8,15-Pentahydroxycholestan-24-yl 2-O-(2-O-methylpentopyranosyl)pentofuranoside, (3S,5R,6R,9R,10R,13R,14S,15S,17S)-17-[(2R)-5-[(2R,3R,4S,5S)-3-[(2S,3R,4S,5R)-4,5-dihydroxy-3-methoxy-oxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,6,7,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]ph
| Molecular Formula | C38H66O14 |
|---|---|
| Molecular Weight | 746.45 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 228.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 11 |
| Exact Mass | 746.44525 |
| Heavy Atoms | 52 |
| Complexity | 1230.0 |
Chemical Identifiers
| CAS Number | 83210-62-2 |
|---|---|
| SMILES | C[C@H](CCC(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)O)O)OC)[C@@H]3C[C@@H]([C@@H]4[C@@]3(CC[C@H]5C4(C[C@H]([C@@]6([C@@]5(CC[C@@H](C6)O)C)O)O)O)C)O |
| InChIKey | YMIVFHWYEOFHLR-AHJJEIIZSA-N |
Product Overview
Nodososide (CAS 83210-62-2), with molecular formula C38H66O14 and molecular weight 746.45 g/mol. IUPAC: (3S,5R,6R,9R,10R,13R,14S,15S,17S)-17-[(2R)-5-[(2R,3R,4S,5S)-3-[(2S,3R,4S,5R)-4,5-dihydroxy-3-methoxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,6,7,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,5,6,8,15-pentol.
Chemical Property Profile of Nodososide
Property Insights of Nodososide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nodososide. The TPSA of 228.0 Ų indicates high polarity, suggesting Nodososide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nodososide has 9 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 Nodososide?
The CAS number of Nodososide is 83210-62-2.
What is the molecular formula of Nodososide?
The molecular formula of Nodososide is C38H66O14.
What is the molecular weight of Nodososide?
The molecular weight of Nodososide is 746.45 g/mol.
Where can I buy Nodososide?
You can request a quote for Nodososide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nodososide?
Yes, KEHONG BIO provides custom synthesis services for Nodososide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.