Protoyuccoside H
TL;DR: Protoyuccoside H (CAS 96351-52-9) is a chemical compound with molecular formula C69H116O39 and molecular weight 1568.71 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5S,6R)-2-[(2R)-4-[(6R,7S,9S,13S,16S,18R)-16-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Protoyuccoside H, RefChem:1097073
| Molecular Formula | C69H116O39 |
|---|---|
| Molecular Weight | 1568.71 g/mol |
| LogP | -10.4824 |
| Topological Polar Surface Area | 623.97 Ų |
| Hydrogen Bond Donors | 24 |
| Hydrogen Bond Acceptors | 39 |
| Rotatable Bonds | 25 |
| Exact Mass | 1568.7094 |
| Heavy Atoms | 108 |
| Complexity | 2838.655 |
Chemical Identifiers
| CAS Number | 96351-52-9 |
|---|---|
| SMILES | C[C@H]1C2C(CC3[C@@]2(CCC4C3CC[C@H]5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O)O)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O)C)C)O[C@@]1(CC[C@@H](C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O |
Product Overview
Protoyuccoside H (CAS 96351-52-9), with molecular formula C69H116O39 and molecular weight 1568.71 g/mol. IUPAC: (2R,3R,4S,5S,6R)-2-[(2R)-4-[(6R,7S,9S,13S,16S,18R)-16-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Protoyuccoside H
Property Insights of Protoyuccoside H
The XLogP value of -10.4824 indicates that Protoyuccoside H is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 623.97 Ų indicates high polarity, suggesting Protoyuccoside H may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Protoyuccoside H has 24 hydrogen bond donor(s) and 39 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Protoyuccoside H?
The CAS number of Protoyuccoside H is 96351-52-9.
What is the molecular formula of Protoyuccoside H?
The molecular formula of Protoyuccoside H is C69H116O39.
What is the molecular weight of Protoyuccoside H?
The molecular weight of Protoyuccoside H is 1568.71 g/mol.
Where can I buy Protoyuccoside H?
You can request a quote for Protoyuccoside H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Protoyuccoside H?
Yes, KEHONG BIO provides custom synthesis services for Protoyuccoside H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.