Pittoside A
TL;DR: Pittoside A (CAS 75303-44-5) is a chemical compound with molecular formula C41H68O13 and molecular weight 768.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5S)-2-[(2S,3R,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,7S,8aR,9R,10R,12aS,14aR,14bR)-7,9,10-trihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl]oxyoxane-3,4,5-triol
Also Known As: Pittoside A, (2S,3R,4S,5S)-2-[(2S,3R,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,7S,8aR,9R,10R,12aS,14aR,14bR)-7,9,10-trihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl]oxyoxane-3,4,5-triol, (2S,3R,4S,5S)-2-((2S,3R,4S,5R,6R)-6-(((3S,4aR,6aR,6bS,7S,8aR,9R,10R,12aS,14aR,14bR)-7,9,10-trihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy)-4,5-dihydroxy-2-methyl-tetrahydropyran-3-yl)oxytetrahydropyran-3,4,5-triol, (2S,3R,4S,5S)-2-((2S,3R,4S,5R,6R)-6-(((3S,4aR,6aR,6bS,7S,8aR,9R,10R,12aS,14aR,14bR)-7,9,10-trihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy)-4,5-dihydroxy-2-methyloxan-3-yl)oxyoxane-3,4,5-triol, (2S,3R,4S,5S)-2-[(2S,3R,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,7S,8aR,9R,10R,12aS,14aR,14bR)-7,9,10-trihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxy-2-methyl-tetrahydropyran-3-yl]oxytetrahydropyran-3,4,5-triol
| Molecular Formula | C41H68O13 |
|---|---|
| Molecular Weight | 768.47 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 219.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 5 |
| Exact Mass | 768.466 |
| Heavy Atoms | 54 |
| Complexity | 1440.0 |
Chemical Identifiers
| CAS Number | 75303-44-5 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]4([C@@H]3CC=C5[C@]4([C@H](C[C@@]6([C@H]5CC([C@H]([C@@H]6O)O)(C)C)CO)O)C)C)C)O)O)O[C@H]7[C@@H]([C@H]([C@H](CO7)O)O)O |
| InChIKey | XDUHPWUVLBIBFS-GLVVCSOHSA-N |
Product Overview
Pittoside A (CAS 75303-44-5), with molecular formula C41H68O13 and molecular weight 768.47 g/mol. IUPAC: (2S,3R,4S,5S)-2-[(2S,3R,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,7S,8aR,9R,10R,12aS,14aR,14bR)-7,9,10-trihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl]oxyoxane-3,4,5-triol.
Chemical Property Profile of Pittoside A
Property Insights of Pittoside A
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pittoside A. The TPSA of 219.0 Ų indicates high polarity, suggesting Pittoside A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pittoside A has 9 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pittoside A?
The CAS number of Pittoside A is 75303-44-5.
What is the molecular formula of Pittoside A?
The molecular formula of Pittoside A is C41H68O13.
What is the molecular weight of Pittoside A?
The molecular weight of Pittoside A is 768.47 g/mol.
Where can I buy Pittoside A?
You can request a quote for Pittoside A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pittoside A?
Yes, KEHONG BIO provides custom synthesis services for Pittoside A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.