Oenothein C
TL;DR: Oenothein C (CAS 95298-58-1) is a chemical compound with molecular formula C34H24O22 and molecular weight 784.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,4S,5R,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxybenzoyl)oxyoxan-3-yl] 3,4,5-trihydroxy-2-[(7,13,14-trihydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaen-6-yl)oxy]benzoate
Also Known As: Oenothein C, 3-O-Galloyl-2-O-[2-[[ -2-yl]oxy]galloyl]-D-glucopyranose, ((3R,4S,5R,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxybenzoyl)oxyoxan-3-yl) 3,4,5-trihydroxy-2-((7,13,14-trihydroxy-3,10-dioxo-2,9-dioxatetracyclo(6.6.2.04,16.011,15)hexadeca-1(15),4,6,8(16),11,13-hexaen-6-yl)oxy)benzoate, (3R,4S,5R,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxybenzoyloxy)oxan-3-yl 3,4,5-trihydroxy-2-({7,13,14-trihydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaen-6-yl}oxy)benzoate, [(3R,4S,5R,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxybenzoyl)oxyoxan-3-yl] 3,4,5-trihydroxy-2-[(7,13,14-trihydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaen-6-yl)oxy]benzoate
| Molecular Formula | C34H24O22 |
|---|---|
| Molecular Weight | 784.08 g/mol |
| LogP | 0.4545 |
| Topological Polar Surface Area | 374.24 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 7 |
| Exact Mass | 784.0759 |
| Heavy Atoms | 56 |
| Complexity | 2708.0015 |
Chemical Identifiers
| CAS Number | 95298-58-1 |
|---|---|
| SMILES | C1=C(C=C(C(=C1O)O)O)C(=O)O[C@H]2[C@@H]([C@H](OC([C@@H]2OC(=O)C3=CC(=C(C(=C3OC4=C(C5=C6C(=C4)C(=O)OC7=C6C(=CC(=C7O)O)C(=O)O5)O)O)O)O)O)CO)O |
Product Overview
Oenothein C (CAS 95298-58-1), with molecular formula C34H24O22 and molecular weight 784.08 g/mol. IUPAC: [(3R,4S,5R,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxybenzoyl)oxyoxan-3-yl] 3,4,5-trihydroxy-2-[(7,13,14-trihydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaen-6-yl)oxy]benzoate.
Chemical Property Profile of Oenothein C
Property Insights of Oenothein C
The XLogP value of 0.4545 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oenothein C. The TPSA of 374.24 Ų indicates high polarity, suggesting Oenothein C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Oenothein C has 12 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Oenothein C?
The CAS number of Oenothein C is 95298-58-1.
What is the molecular formula of Oenothein C?
The molecular formula of Oenothein C is C34H24O22.
What is the molecular weight of Oenothein C?
The molecular weight of Oenothein C is 784.08 g/mol.
Where can I buy Oenothein C?
You can request a quote for Oenothein C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oenothein C?
Yes, KEHONG BIO provides custom synthesis services for Oenothein C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.