Heterophylliin A
TL;DR: Heterophylliin A (CAS 139975-10-3) is a chemical compound with molecular formula C34H26O22 and molecular weight 786.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,5,12,21,22,23-heptahydroxy-8,18-dioxo-13-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate
Also Known As: Heterophylliin A, 1,3-Digalloyl-4,6-HHDP-glucose, Pedunculagin II (Digalloyl-HHDP-hex), 1,3-Digalloyl-4,6-hexahydroxydiphenoylglucose, 1,3-Di-O-galloyl-4,6-(S)-hexahydroxydiphenoyl-a-D-glucopyranose
| Molecular Formula | C34H26O22 |
|---|---|
| Molecular Weight | 786.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 377.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 6 |
| Exact Mass | 786.09155 |
| Heavy Atoms | 56 |
| Complexity | 1420.0 |
Chemical Identifiers
| CAS Number | 139975-10-3 |
|---|---|
| SMILES | C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O1)O)O)O)O)O)O |
| InChIKey | NLDMNSXOCDLTTB-UHFFFAOYSA-N |
Product Overview
Heterophylliin A (CAS 139975-10-3), with molecular formula C34H26O22 and molecular weight 786.09 g/mol. IUPAC: [3,4,5,12,21,22,23-heptahydroxy-8,18-dioxo-13-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate.
Chemical Property Profile of Heterophylliin A
Property Insights of Heterophylliin A
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heterophylliin A. The TPSA of 377.0 Ų indicates high polarity, suggesting Heterophylliin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Heterophylliin A has 13 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 Heterophylliin A?
The CAS number of Heterophylliin A is 139975-10-3.
What is the molecular formula of Heterophylliin A?
The molecular formula of Heterophylliin A is C34H26O22.
What is the molecular weight of Heterophylliin A?
The molecular weight of Heterophylliin A is 786.09 g/mol.
Where can I buy Heterophylliin A?
You can request a quote for Heterophylliin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heterophylliin A?
Yes, KEHONG BIO provides custom synthesis services for Heterophylliin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.