Name: 7α-methyl-19-tetrahydropyranyloxy-5-androsten-3β,17β-diol
SMILES:
C[C@@H]1C=C2C[C@@H](O)CC[C@]2(COC2CCCCO2)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12Molecular Processing
Molecular formula
C25H40O4
Molecular weight
404.59
Exact mass
404.2927
XLogP
4.44
TPSA
58.92
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
29
Rings
5
Aromatic rings
0
Saturated rings
4
Aliphatic rings
5
Stereo centers
9
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.92
Molar refractivity
112.13
Supplementary Information
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