C=CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(OCSC)C(OC)C3)C(C)C(O)CC1=O)C(C)CC2OC
SMILES: C=CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(OCSC)C(OC)C3)C(C)C(O)CC1=O)C(C)CC2OC

Molecular Processing

Molecular formula
C46H73NO12S
Molecular weight
864.15
Exact mass
863.4853
XLogP
5.98
TPSA
167.36
H-bond donors
2
H-bond acceptors
13
Rotatable bonds
10
Heavy atoms
60
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
14
Undefined stereo
14
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.783
Molar refractivity
229.84

Supplementary Information

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