Name: 5-methyl-4-[(methylthiophenyl)methyl]-3-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyloxy)-1H-pyrazole
SMILES:
CC(=O)OC[C@H]1O[C@@H](Oc2n[nH]c(C)c2Cc2sccc2C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OMolecular Processing
Molecular formula
C24H30N2O10S
Molecular weight
538.58
Exact mass
538.1621
XLogP
2.14
TPSA
152.34
H-bond donors
1
H-bond acceptors
12
Rotatable bonds
9
Heavy atoms
37
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.542
Molar refractivity
127.77
Supplementary Information
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