Cyclofoetoside B
TL;DR: Cyclofoetoside B (CAS 108333-83-1) is a chemical compound with molecular formula C47H80O18 and molecular weight 932.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-6-[[(1S,3R,6S,7S,8R,11S,12S,14S,16R)-15-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-7-(hydroxymethyl)-7,12,16-trimethyl-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
Also Known As: Cyclofoetoside B, (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-6-[[(1S,3R,6S,7S,8R,11S,12S,14S,16R)-15-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-7-(hydroxymethyl)-7,12,16-trimethyl-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol, (17xi,24S)-3beta-(alpha-L-Arabinopyranosyloxy)-24,25,29-trihydroxy-9beta-9,19-cyclolanostan-16beta-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
| Molecular Formula | C47H80O18 |
|---|---|
| Molecular Weight | 932.53 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 298.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 13 |
| Exact Mass | 932.5345 |
| Heavy Atoms | 65 |
| Complexity | 1680.0 |
Chemical Identifiers
| CAS Number | 108333-83-1 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@H]3C[C@]4([C@@H]5CC[C@H]6[C@@]([C@H](CC[C@]67[C@]5(C7)CC[C@@]4(C3[C@H](C)CC[C@@H](C(C)(C)O)O)C)O[C@H]8[C@@H]([C@H]([C@H](CO8)O)O)O)(C)CO)C)O)O)O)O)O)O |
| InChIKey | JDYWIMCSAUNOHC-OOLFRTMQSA-N |
Product Overview
Cyclofoetoside B (CAS 108333-83-1), with molecular formula C47H80O18 and molecular weight 932.53 g/mol. IUPAC: (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-6-[[(1S,3R,6S,7S,8R,11S,12S,14S,16R)-15-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-7-(hydroxymethyl)-7,12,16-trimethyl-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol.
Chemical Property Profile of Cyclofoetoside B
Property Insights of Cyclofoetoside B
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclofoetoside B. The TPSA of 298.0 Ų indicates high polarity, suggesting Cyclofoetoside B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyclofoetoside B has 12 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 Cyclofoetoside B?
The CAS number of Cyclofoetoside B is 108333-83-1.
What is the molecular formula of Cyclofoetoside B?
The molecular formula of Cyclofoetoside B is C47H80O18.
What is the molecular weight of Cyclofoetoside B?
The molecular weight of Cyclofoetoside B is 932.53 g/mol.
Where can I buy Cyclofoetoside B?
You can request a quote for Cyclofoetoside B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclofoetoside B?
Yes, KEHONG BIO provides custom synthesis services for Cyclofoetoside B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.