Pseudolaric acid B-O-beta-D-glucopyranoside

Base Information

• Chemical Name: Pseudolaric acid B-O-beta-D-glucopyranoside
• CAS No.: 98891-41-9
• Molecular Formula: C29H38O13
• Molecular Weight: 594.6
• European Community (EC) Number: 683-260-3
• Nikkaji Number: J1.105.149I
• Metabolomics Workbench ID: 134537
• ChEMBL ID: CHEMBL447760
• Mol file: 98891-41-9.mol

Synonyms:98891-41-9;Pseudolaric acid B-O-beta-D-glucopyranoside;Pseudolaric acid B beta-D-glucoside;Pseudolaric acid B |A-D-glucoside;PseudolaricacidBO-beta-D-glucopyranoside;methyl (1R,7S,8S,9R)-7-acetyloxy-9-methyl-9-[(1E,3E)-4-methyl-5-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypenta-1,3-dienyl]-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-ene-4-carboxylate;PSEUDOLARIC ACID B-O-BETA-D- GLUCOPYRANOSIDE;Pseudolaric acid B glucoside;CHEMBL447760;Pseudolaric acid B-glucopyranoside;UUDZDKPKXAEKLA-YHLOYHKPSA-N;HY-N6938;AKOS037514804;AC-34802;MS-30571;Pseudolaric acid B-O-|A-D-glucopyranoside;CS-0027710;PSEUDOLARICACIDB-O-BETA-D-GLUCOPYRANOSIDE

Chemical Property of Pseudolaric acid B-O-beta-D-glucopyranoside

Chemical Property:

• Boiling Point: 766.5±60.0 °C(Predicted)
• PKA: 12.52±0.70(Predicted)
• PSA: 195.35000
• Density: 1.42±0.1 g/cm3 (20 ºC 760 Torr)
• LogP: 0.12910
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 10
• Exact Mass: 594.23124126
• Heavy Atom Count: 42
• Complexity: 1210

Purity/Quality:

95%-98% ^*data from raw suppliers

PseudolaricacidBβ-D-glucoside ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC=CC1(C2CCC3(C2(CCC(=CC3)C(=O)OC)OC(=O)C)C(=O)O1)C)C(=O)OC4C(C(C(C(O4)CO)O)O)O
• Isomeric SMILES: C/C(=C\C=C\[C@@]1([C@@H]2CC[C@@]3([C@@]2(CCC(=CC3)C(=O)OC)OC(=O)C)C(=O)O1)C)/C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
• Uses: Pseudolaric Acid B O-β-D-Glucopyranoside is a metabolites of diterpene acid isolated from Pseudolarix kaempferi. A cytotoxic agent and a potential antifungal agent.