SMILES:
COC1C2OC(=O)OC2C(Oc2ccc3cc(NC(C)=O)c(=O)oc3c2)OC1(C)CMolecular Processing
Molecular formula
C20H21NO9
Molecular weight
419.39
Exact mass
419.1216
XLogP
2.18
TPSA
122.53
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
102.31
Supplementary Information
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