大蒲桃苷
TL;DR: 大蒲桃苷 (CAS 115166-32-0) is a chemical compound with molecular formula C46H34O30 and molecular weight 1066.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
大蒲桃苷
(46R)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-46-[(3R,4S)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone
Also Known As: Grandinin, 3-(Phenyl-NNO-azoxy)-phenylamine, pentadecahydroxy-[(3R,4S)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl][?]pentone, RefChem:922486
| Molecular Formula | C46H34O30 |
|---|---|
| Molecular Weight | 1066.11 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 525.0 Ų |
| Hydrogen Bond Donors | 19 |
| Hydrogen Bond Acceptors | 30 |
| Rotatable Bonds | 2 |
| Exact Mass | 1066.1135 |
| Heavy Atoms | 76 |
| Complexity | 2260.0 |
Chemical Identifiers
| CAS Number | 115166-32-0 |
|---|---|
| SMILES | C1C2C(C3C4[C@@H](C5=C(C(=C(C(=C5C(=O)O4)C6=C(C(=C(C(=C6C(=O)O3)C7=C(C(=C(C=C7C(=O)O2)O)O)O)O)O)O)O)O)O)C8([C@@H]([C@@H](C(O8)CO)O)O)O)OC(=O)C9=CC(=C(C(=C9C2=C(C(=C(C=C2C(=O)O1)O)O)O)O)O)O |
| InChIKey | GCEXRPOQEVIITL-XJDSPLDHSA-N |
Product Overview
大蒲桃苷 (CAS 115166-32-0), with molecular formula C46H34O30 and molecular weight 1066.11 g/mol. IUPAC: (46R)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-46-[(3R,4S)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone.
Chemical Property Profile of 大蒲桃苷
Property Insights of 大蒲桃苷
The XLogP value of -0.5 indicates that 大蒲桃苷 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 525.0 Ų indicates high polarity, suggesting 大蒲桃苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 大蒲桃苷 has 19 hydrogen bond donor(s) and 30 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 大蒲桃苷?
The CAS number of 大蒲桃苷 is 115166-32-0.
What is the molecular formula of 大蒲桃苷?
The molecular formula of 大蒲桃苷 is C46H34O30.
What is the molecular weight of 大蒲桃苷?
The molecular weight of 大蒲桃苷 is 1066.11 g/mol.
Where can I buy 大蒲桃苷?
You can request a quote for 大蒲桃苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 大蒲桃苷?
Yes, KEHONG BIO provides custom synthesis services for 大蒲桃苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.