andirobicin B glucoside
TL;DR: andirobicin B glucoside (CAS 18357-38-5) is a chemical compound with molecular formula C29H40O10 and molecular weight 548.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9R,13R,16R,17R)-17-acetyl-3,16-dihydroxy-4,9,13,14-tetramethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,8,12,15,16,17-hexahydro-6H-cyclopenta[a]phenanthren-11-one
Also Known As: Andirobicin B glucoside, KST-1A2202, (8S,9R,13R,16R,17R)-17-acetyl-3,16-dihydroxy-4,9,13,14-tetramethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,8,12,15,16,17-hexahydro-6H-cyclopenta[a]phenanthren-11-one, 22,23,24,25,26,27,29-Heptanor-1,2,3,4,5,10-dehydro-2-O-glucopyranosyl-3,16-dihydroxycucurbita-11,20-dione, (9
| Molecular Formula | C29H40O10 |
|---|---|
| Molecular Weight | 548.26 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 548.26215 |
| Heavy Atoms | 39 |
| Complexity | 989.0 |
Chemical Identifiers
| CAS Number | 18357-38-5 |
|---|---|
| SMILES | CC1=C2CC[C@@H]3[C@](C2=CC(=C1O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)(C(=O)C[C@]5(C3(C[C@H]([C@@H]5C(=O)C)O)C)C)C |
| InChIKey | FKNMUGKCXFULAT-XBFFBVMRSA-N |
Product Overview
andirobicin B glucoside (CAS 18357-38-5), with molecular formula C29H40O10 and molecular weight 548.26 g/mol. IUPAC: (8S,9R,13R,16R,17R)-17-acetyl-3,16-dihydroxy-4,9,13,14-tetramethyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,8,12,15,16,17-hexahydro-6H-cyclopenta[a]phenanthren-11-one.
Chemical Property Profile of andirobicin B glucoside
Property Insights of andirobicin B glucoside
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for andirobicin B glucoside. The TPSA of 174.0 Ų indicates high polarity, suggesting andirobicin B glucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, andirobicin B glucoside has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of andirobicin B glucoside?
The CAS number of andirobicin B glucoside is 18357-38-5.
What is the molecular formula of andirobicin B glucoside?
The molecular formula of andirobicin B glucoside is C29H40O10.
What is the molecular weight of andirobicin B glucoside?
The molecular weight of andirobicin B glucoside is 548.26 g/mol.
Where can I buy andirobicin B glucoside?
You can request a quote for andirobicin B glucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for andirobicin B glucoside?
Yes, KEHONG BIO provides custom synthesis services for andirobicin B glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.