COc1cc(C2c3cc4c(cc3C(O)CC2C(=O)O)OCO4)cc(OC)c1OC
SMILES: COc1cc(C2c3cc4c(cc3C(O)CC2C(=O)O)OCO4)cc(OC)c1OC

Molecular Processing

Molecular formula
C21H22O8
Molecular weight
402.4
Exact mass
402.1315
XLogP
2.71
TPSA
103.68
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
101.21

Supplementary Information

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