Clinopodiside A
TL;DR: Clinopodiside A (CAS 142809-89-0) is a chemical compound with molecular formula C48H78O19 and molecular weight 958.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4,5-dihydroxy-6-[[8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Clinopodiside A, Clinodiside A, Clinodiside A [M+H]+, 9158AF, 2-[[4,5-dihydroxy-6-[[8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
| Molecular Formula | C48H78O19 |
|---|---|
| Molecular Weight | 958.51 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 318.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 11 |
| Exact Mass | 958.51373 |
| Heavy Atoms | 67 |
| Complexity | 1830.0 |
Chemical Identifiers
| CAS Number | 142809-89-0 |
|---|---|
| SMILES | CC1(CCC2(C(CC3(C(=C2C1)C=CC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)O)O)C)C)C)O)CO)C |
| InChIKey | PCWTUTJLXXOQPR-UHFFFAOYSA-N |
Product Overview
Clinopodiside A (CAS 142809-89-0), with molecular formula C48H78O19 and molecular weight 958.51 g/mol. IUPAC: 2-[[4,5-dihydroxy-6-[[8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Clinopodiside A
Property Insights of Clinopodiside A
The XLogP value of -0.1 indicates that Clinopodiside A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 318.0 Ų indicates high polarity, suggesting Clinopodiside A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Clinopodiside A has 13 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Clinopodiside A?
The CAS number of Clinopodiside A is 142809-89-0.
What is the molecular formula of Clinopodiside A?
The molecular formula of Clinopodiside A is C48H78O19.
What is the molecular weight of Clinopodiside A?
The molecular weight of Clinopodiside A is 958.51 g/mol.
Where can I buy Clinopodiside A?
You can request a quote for Clinopodiside A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Clinopodiside A?
Yes, KEHONG BIO provides custom synthesis services for Clinopodiside A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.