C/C(=C\C(=O)OCCCCCCCC(=O)Nc1c2sscc-2[nH]c1=O)C(O)C1OCC(C/C=C/C(C)C(C)O)C(O)C1O
Name: thiomarinol
SMILES: C/C(=C\C(=O)OCCCCCCCC(=O)Nc1c2sscc-2[nH]c1=O)C(O)C1OCC(C/C=C/C(C)C(C)O)C(O)C1O

Molecular Processing

Molecular formula
C30H44N2O9S2
Molecular weight
640.82
Exact mass
640.2488
XLogP
3.43
TPSA
178.41
H-bond donors
6
H-bond acceptors
11
Rotatable bonds
16
Heavy atoms
43
Rings
3
Aromatic rings
0
Saturated rings
1
Aliphatic rings
3
Stereo centers
7
Undefined stereo
7
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.633
Molar refractivity
166.34

Supplementary Information

Fetching details…

Involved in 1 reactions→

Extended Search

Substructure Search→Similarity Search→