Soladulcoside A
TL;DR: Soladulcoside A (CAS 137031-53-9) is a chemical compound with molecular formula C39H62O15 and molecular weight 770.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,3R,3'R,4R,5'S,7S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5'-dihydroxy-3',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,6'-oxane]-2'-one
Also Known As: Soladulcoside A, 3beta,15alpha,23alpha-Trihydroxy-5alpha-spirostan-26-one 3-O-alpha-rhamnopyranosyl-(1-2)-beta-glucopyranoside, Spirostan-26-one, 3-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-15,23-dihydroxy-, (3beta,5alpha,15alpha,23S,25R)-, 3 beta,15 alpha,23 alpha-trihydroxy-5 alpha-spirostan-26-one 3-O-alpha-rhamnopyranosyl-(1-2)-beta-glucopyranoside, RefChem:931944
| Molecular Formula | C39H62O15 |
|---|---|
| Molecular Weight | 770.41 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 234.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 5 |
| Exact Mass | 770.4089 |
| Heavy Atoms | 54 |
| Complexity | 1400.0 |
Chemical Identifiers
| CAS Number | 137031-53-9 |
|---|---|
| SMILES | C[C@@H]1C[C@@H](C2([C@H]([C@H]3[C@@H](O2)[C@@H]([C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C)O)C)OC1=O)O |
| InChIKey | BVALVRBXQYLPOW-PDVVVGIASA-N |
Product Overview
Soladulcoside A (CAS 137031-53-9), with molecular formula C39H62O15 and molecular weight 770.41 g/mol. IUPAC: (1R,2S,3R,3'R,4R,5'S,7S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5'-dihydroxy-3',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,6'-oxane]-2'-one.
Chemical Property Profile of Soladulcoside A
Property Insights of Soladulcoside A
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Soladulcoside A. The TPSA of 234.0 Ų indicates high polarity, suggesting Soladulcoside A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Soladulcoside A has 8 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Soladulcoside A?
The CAS number of Soladulcoside A is 137031-53-9.
What is the molecular formula of Soladulcoside A?
The molecular formula of Soladulcoside A is C39H62O15.
What is the molecular weight of Soladulcoside A?
The molecular weight of Soladulcoside A is 770.41 g/mol.
Where can I buy Soladulcoside A?
You can request a quote for Soladulcoside A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Soladulcoside A?
Yes, KEHONG BIO provides custom synthesis services for Soladulcoside A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.