Hydrangenoisde A
TL;DR: Hydrangenoisde A (CAS 74474-42-3) is a chemical compound with molecular formula C31H40O13 and molecular weight 620.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-ethenyl-4-[[6-[4-(4-hydroxyphenyl)-2-oxobutyl]-4-oxooxan-2-yl]methyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
Also Known As: HYDRANGENOISDE A, Hydrangenoside A, MEGxp0_001323, ACon0_000916, ACon1_001114
| Molecular Formula | C31H40O13 |
|---|---|
| Molecular Weight | 620.25 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 199.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 13 |
| Exact Mass | 620.2469 |
| Heavy Atoms | 44 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 74474-42-3 |
|---|---|
| SMILES | COC(=O)C1=COC(C(C1CC2CC(=O)CC(O2)CC(=O)CCC3=CC=C(C=C3)O)C=C)OC4C(C(C(C(O4)CO)O)O)O |
| InChIKey | BAKYVUHOODEWGV-UHFFFAOYSA-N |
Product Overview
Hydrangenoisde A (CAS 74474-42-3), with molecular formula C31H40O13 and molecular weight 620.25 g/mol. IUPAC: methyl 3-ethenyl-4-[[6-[4-(4-hydroxyphenyl)-2-oxobutyl]-4-oxooxan-2-yl]methyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate.
Chemical Property Profile of Hydrangenoisde A
Property Insights of Hydrangenoisde A
The XLogP value of -0.1 indicates that Hydrangenoisde A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 199.0 Ų indicates high polarity, suggesting Hydrangenoisde A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hydrangenoisde A has 5 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 Hydrangenoisde A?
The CAS number of Hydrangenoisde A is 74474-42-3.
What is the molecular formula of Hydrangenoisde A?
The molecular formula of Hydrangenoisde A is C31H40O13.
What is the molecular weight of Hydrangenoisde A?
The molecular weight of Hydrangenoisde A is 620.25 g/mol.
Where can I buy Hydrangenoisde A?
You can request a quote for Hydrangenoisde A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydrangenoisde A?
Yes, KEHONG BIO provides custom synthesis services for Hydrangenoisde A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.