SMILES:
COC1=C(C(=O)O)C(c2ccc3c(c2)OCO3)Oc2ccc(OC(C)C)cc21Molecular Processing
Molecular formula
C21H20O7
Molecular weight
384.38
Exact mass
384.1209
XLogP
3.78
TPSA
83.45
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
99.7
Supplementary Information
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