Esculentoside P
TL;DR: Esculentoside P (CAS 60820-96-4) is a chemical compound with molecular formula C36H56O12 and molecular weight 680.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4aR,6aR,6aS,6bR,9R,10R,11S,12aR,14bR)-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
Also Known As: Esculentoside P, 3-O-beta-D-Glucopyranosyl-jaligonic acid, (2R,4aR,6aR,6aS,6bR,9R,10R,11S,12aR,14bR)-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid, 3-(Hexopyranosyloxy)-2,23-dihydroxyolean-12-ene-28,29-dioic acid, Olean-12-ene-28,29-dioic acid, 3-(beta-D-glucopyranosyloxy)-2,23-dihydroxy-, (2beta,3beta,4alpha,20beta)-
| Molecular Formula | C36H56O12 |
|---|---|
| Molecular Weight | 680.38 g/mol |
| LogP | 2.0657 |
| Topological Polar Surface Area | 214.44 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 680.3772 |
| Heavy Atoms | 48 |
| Complexity | 1335.554 |
Chemical Identifiers
| CAS Number | 60820-96-4 |
|---|---|
| SMILES | C[C@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)C)C)[C@H]2C1)C)C(=O)O)C(=O)O |
Product Overview
Esculentoside P (CAS 60820-96-4), with molecular formula C36H56O12 and molecular weight 680.38 g/mol. IUPAC: (2R,4aR,6aR,6aS,6bR,9R,10R,11S,12aR,14bR)-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid.
Chemical Property Profile of Esculentoside P
Property Insights of Esculentoside P
The XLogP value of 2.0657 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Esculentoside P. The TPSA of 214.44 Ų indicates high polarity, suggesting Esculentoside P may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Esculentoside P has 8 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Esculentoside P?
The CAS number of Esculentoside P is 60820-96-4.
What is the molecular formula of Esculentoside P?
The molecular formula of Esculentoside P is C36H56O12.
What is the molecular weight of Esculentoside P?
The molecular weight of Esculentoside P is 680.38 g/mol.
Where can I buy Esculentoside P?
You can request a quote for Esculentoside P directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Esculentoside P?
Yes, KEHONG BIO provides custom synthesis services for Esculentoside P and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.