Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[4-[(4-ethylphenyl)methyl]-5-methyl-1H-pyrazol-3-yl]oxy]oxan-2-yl]methyl acetate

SMILES: CCC1=CC=C(C=C1)CC2=C(NN=C2OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C

Molecular Processing

Molecular formula

C27H34N2O10

Molecular weight

546.57

Exact mass

546.2213

XLogP

2.33

TPSA

152.34

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.519

Molar refractivity

134.53

Supplementary Information

InChIKey: ORMYSQXOUQPIDT-NUPXYHBHSA-N

Synonyme

SCHEMBL2253093ORMYSQXOUQPIDT-NUPXYHBHSA-N4-[(4-Ethylphenyl)methyl]-5-methyl-3-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyloxy)-1H-pyrazole