Clinoposaponin I
TL;DR: Clinoposaponin I (CAS 18520-85-9) is a chemical compound with molecular formula C48H78O18 and molecular weight 942.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[6-[3,5-dihydroxy-2-[[2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Clinoposaponin I, 2-[[6-[3,5-dihydroxy-2-[[2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol, 16,23-dihydroxy-13,28-epoxyolean-11-en-3-yl hexopyranosyl-(1-, 16,23-dihydroxy-13,28-epoxyolean-11-en-3-yl hexopyranosyl-(1->6)hexopyranosyl-(1->3)-6-deoxyhexopyranoside, beta-D-Galactopyranoside, (3beta,4alpha,16beta)-13,28-epoxy-16,23-dihydroxyolean-11-en-3-yl O-beta-D-glucopyranosyl-(1-6)-O-beta-D-glucopyranosyl-(1-3)-6-deoxy-
| Molecular Formula | C48H78O18 |
|---|---|
| Molecular Weight | 942.52 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 287.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 9 |
| Exact Mass | 942.5188 |
| Heavy Atoms | 66 |
| Complexity | 1810.0 |
Chemical Identifiers
| CAS Number | 18520-85-9 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2CCC3(C(C2(C)CO)CCC4(C3C=CC56C4(CC(C7(C5CC(CC7)(C)C)CO6)O)C)C)C)O)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O)O |
| InChIKey | KGNABDIUDDBCFP-UHFFFAOYSA-N |
Product Overview
Clinoposaponin I (CAS 18520-85-9), with molecular formula C48H78O18 and molecular weight 942.52 g/mol. IUPAC: 2-[[6-[3,5-dihydroxy-2-[[2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Clinoposaponin I
Property Insights of Clinoposaponin I
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Clinoposaponin I. The TPSA of 287.0 Ų indicates high polarity, suggesting Clinoposaponin I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Clinoposaponin I has 11 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Clinoposaponin I?
The CAS number of Clinoposaponin I is 18520-85-9.
What is the molecular formula of Clinoposaponin I?
The molecular formula of Clinoposaponin I is C48H78O18.
What is the molecular weight of Clinoposaponin I?
The molecular weight of Clinoposaponin I is 942.52 g/mol.
Where can I buy Clinoposaponin I?
You can request a quote for Clinoposaponin I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Clinoposaponin I?
Yes, KEHONG BIO provides custom synthesis services for Clinoposaponin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.