CC(C)(C)c1ccc(Sc2c(Sc3ccc(C(C)(C)C)cc3)c(Sc3ccc(C(C)(C)C)cc3)c3cc4c(cc3c2Sc2ccc(C(C)(C)C)cc2)C(O)c2cc3c(Sc5ccc(C(C)(C)C)cc5)c5cc6c(cc5c(Sc5ccc(C(C)(C)C)cc5)c3cc2C4O)C(O)c2cc3c(Sc4ccc(C(C)(C)C)cc4)c(Sc4ccc(C(C)(C)C)cc4)c(Sc4ccc(C(C)(C)C)cc4)c(Sc4ccc(C(C)(C)C)cc4)c3cc2C6O)cc1
SMILES: CC(C)(C)c1ccc(Sc2c(Sc3ccc(C(C)(C)C)cc3)c(Sc3ccc(C(C)(C)C)cc3)c3cc4c(cc3c2Sc2ccc(C(C)(C)C)cc2)C(O)c2cc3c(Sc5ccc(C(C)(C)C)cc5)c5cc6c(cc5c(Sc5ccc(C(C)(C)C)cc5)c3cc2C4O)C(O)c2cc3c(Sc4ccc(C(C)(C)C)cc4)c(Sc4ccc(C(C)(C)C)cc4)c(Sc4ccc(C(C)(C)C)cc4)c(Sc4ccc(C(C)(C)C)cc4)c3cc2C6O)cc1

Molecular Processing

Molecular formula
C138H146O4S10
Molecular weight
2189.35
Exact mass
2186.8428
XLogP
41.74
TPSA
80.92
H-bond donors
4
H-bond acceptors
14
Rotatable bonds
20
Heavy atoms
152
Rings
19
Aromatic rings
17
Saturated rings
0
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.319
Molar refractivity
658.25

Supplementary Information

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