Acutoside B
TL;DR: Acutoside B (CAS 135545-77-6) is a chemical compound with molecular formula C58H94O25 and molecular weight 1190.61 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] 10-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Also Known As: Acutoside B, [3-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] 10-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate, Olean-12-en-28-oic acid, 3-[(2-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranosyl)oxy]-, O-I(2)-D-xylopyranosyl-(1a4)-O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-I+/--L-arabinopyranosyl ester, (3I(2))-
| Molecular Formula | C58H94O25 |
|---|---|
| Molecular Weight | 1190.61 g/mol |
| LogP | -1.9053 |
| Topological Polar Surface Area | 392.59 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 12 |
| Exact Mass | 1190.6084 |
| Heavy Atoms | 83 |
| Complexity | 2308.8674 |
Chemical Identifiers
| CAS Number | 135545-77-6 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4)C)C)(C)C)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)(C)C)O)O)O)O)OC1C(C(C(CO1)O)O)O |
Product Overview
Acutoside B (CAS 135545-77-6), with molecular formula C58H94O25 and molecular weight 1190.61 g/mol. IUPAC: [3-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] 10-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate.
Chemical Property Profile of Acutoside B
Property Insights of Acutoside B
The XLogP value of -1.9053 indicates that Acutoside B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 392.59 Ų indicates high polarity, suggesting Acutoside B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acutoside B has 14 hydrogen bond donor(s) and 25 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acutoside B?
The CAS number of Acutoside B is 135545-77-6.
What is the molecular formula of Acutoside B?
The molecular formula of Acutoside B is C58H94O25.
What is the molecular weight of Acutoside B?
The molecular weight of Acutoside B is 1190.61 g/mol.
Where can I buy Acutoside B?
You can request a quote for Acutoside B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acutoside B?
Yes, KEHONG BIO provides custom synthesis services for Acutoside B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.