老鹳草素
TL;DR: 老鹳草素 (CAS 60976-49-0) is a chemical compound with molecular formula C41H28O27 and molecular weight 952.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
老鹳草素
(1,13,14,15,18,19,20,34,35,39,39-undecahydroxy-2,5,10,23,31-pentaoxo-6,9,24,27,30,40-hexaoxaoctacyclo[34.3.1.04,38.07,26.08,29.011,16.017,22.032,37]tetraconta-3,11,13,15,17,19,21,32,34,36-decaen-28-yl) 3,4,5-trihydroxybenzoate
Also Known As: Geraniin, b-D-Glucopyranose, Geraniin (Standard), HY-N0472R, HY-N0472
| Molecular Formula | C41H28O27 |
|---|---|
| Molecular Weight | 952.08 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 450.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 27 |
| Rotatable Bonds | 3 |
| Exact Mass | 952.0818 |
| Heavy Atoms | 68 |
| Complexity | 2080.0 |
Chemical Identifiers
| CAS Number | 60976-49-0 |
|---|---|
| SMILES | C1C2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C7C(=CC(=O)C(C7(O)O)(O6)O)C(=O)O3)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O |
| InChIKey | JQQBXPCJFAKSPG-UHFFFAOYSA-N |
Product Overview
老鹳草素 (CAS 60976-49-0), with molecular formula C41H28O27 and molecular weight 952.08 g/mol. IUPAC: (1,13,14,15,18,19,20,34,35,39,39-undecahydroxy-2,5,10,23,31-pentaoxo-6,9,24,27,30,40-hexaoxaoctacyclo[34.3.1.04,38.07,26.08,29.011,16.017,22.032,37]tetraconta-3,11,13,15,17,19,21,32,34,36-decaen-28-yl) 3,4,5-trihydroxybenzoate.
Chemical Property Profile of 老鹳草素
Property Insights of 老鹳草素
The XLogP value of -0.6 indicates that 老鹳草素 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 450.0 Ų indicates high polarity, suggesting 老鹳草素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 老鹳草素 has 14 hydrogen bond donor(s) and 27 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 老鹳草素?
The CAS number of 老鹳草素 is 60976-49-0.
What is the molecular formula of 老鹳草素?
The molecular formula of 老鹳草素 is C41H28O27.
What is the molecular weight of 老鹳草素?
The molecular weight of 老鹳草素 is 952.08 g/mol.
Where can I buy 老鹳草素?
You can request a quote for 老鹳草素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 老鹳草素?
Yes, KEHONG BIO provides custom synthesis services for 老鹳草素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.