车叶草苷
TL;DR: 车叶草苷 (CAS 14259-45-1) is a chemical compound with molecular formula C18H22O11 and molecular weight 414.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
车叶草苷
[(4S,7S,8S,11S)-2-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undeca-1(10),5-dien-6-yl]methyl acetate
Also Known As: Asperuloside, rubichloric acid, Asperuloside (Standard), ASPERULOSIDE [MI], SID:99222800
| Molecular Formula | C18H22O11 |
|---|---|
| Molecular Weight | 414.12 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.1162 |
| Heavy Atoms | 29 |
| Complexity | 746.0 |
Chemical Identifiers
| CAS Number | 14259-45-1 |
|---|---|
| SMILES | CC(=O)OCC1=C[C@H]2[C@H]3[C@@H]1[C@@H](OC=C3C(=O)O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
| InChIKey | IBIPGYWNOBGEMH-DILZHRMZSA-N |
Product Overview
车叶草苷 (CAS 14259-45-1), with molecular formula C18H22O11 and molecular weight 414.12 g/mol. IUPAC: [(4S,7S,8S,11S)-2-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undeca-1(10),5-dien-6-yl]methyl acetate.
Chemical Property Profile of 车叶草苷
Property Insights of 车叶草苷
The XLogP value of -2.4 indicates that 车叶草苷 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 161.0 Ų indicates high polarity, suggesting 车叶草苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 车叶草苷 has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 车叶草苷?
The CAS number of 车叶草苷 is 14259-45-1.
What is the molecular formula of 车叶草苷?
The molecular formula of 车叶草苷 is C18H22O11.
What is the molecular weight of 车叶草苷?
The molecular weight of 车叶草苷 is 414.12 g/mol.
Where can I buy 车叶草苷?
You can request a quote for 车叶草苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 车叶草苷?
Yes, KEHONG BIO provides custom synthesis services for 车叶草苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.