Bruceantinoside B
TL;DR: Bruceantinoside B (CAS 79439-84-2) is a chemical compound with molecular formula C34H46O16 and molecular weight 710.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(E)-3,4-dimethylpent-2-enoyl]oxy-15,16-dihydroxy-9,13-dimethyl-4,12-dioxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-10-ene-17-carboxylate
Also Known As: Bruceantinoside B, Yadanzioside P, 3-0-(glucopyranosyl)bruceantin, 3-O-(Glucopyranosyl)bruceantin, Methyl 3-[(E)-3,4-dimethylpent-2-enoyl]oxy-15,16-dihydroxy-9,13-dimethyl-4,12-dioxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-10-ene-17-carboxylate
| Molecular Formula | C34H46O16 |
|---|---|
| Molecular Weight | 710.28 g/mol |
| LogP | -1.7325 |
| Topological Polar Surface Area | 245.04 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 7 |
| Exact Mass | 710.27856 |
| Heavy Atoms | 50 |
| Complexity | 1488.6832 |
Chemical Identifiers
| CAS Number | 79439-84-2 |
|---|---|
| SMILES | CC1C=C(C(=O)C2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)/C=C(\C)/C(C)C)(OC5)C(=O)OC)O)O)C)OC6C(C(C(C(O6)CO)O)O)O |
Product Overview
Bruceantinoside B (CAS 79439-84-2), with molecular formula C34H46O16 and molecular weight 710.28 g/mol. IUPAC: methyl 3-[(E)-3,4-dimethylpent-2-enoyl]oxy-15,16-dihydroxy-9,13-dimethyl-4,12-dioxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-10-ene-17-carboxylate.
Chemical Property Profile of Bruceantinoside B
Property Insights of Bruceantinoside B
The XLogP value of -1.7325 indicates that Bruceantinoside B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 245.04 Ų indicates high polarity, suggesting Bruceantinoside B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bruceantinoside B has 6 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bruceantinoside B?
The CAS number of Bruceantinoside B is 79439-84-2.
What is the molecular formula of Bruceantinoside B?
The molecular formula of Bruceantinoside B is C34H46O16.
What is the molecular weight of Bruceantinoside B?
The molecular weight of Bruceantinoside B is 710.28 g/mol.
Where can I buy Bruceantinoside B?
You can request a quote for Bruceantinoside B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bruceantinoside B?
Yes, KEHONG BIO provides custom synthesis services for Bruceantinoside B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.