이름: (3β,5α, 11β,12α,25R)-23-bromo-spirostan-3,11,12-triol
SMILES:
C[C@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5[C@@H](O)[C@H](O)[C@]4(C)[C@H]3[C@@H]2C)C(Br)C1Molecular Processing
Molecular formula
C27H43BrO5
Molecular weight
527.54
Exact mass
526.2294
XLogP
4.11
TPSA
79.15
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
0
Heavy atoms
33
Rings
6
Aromatic rings
0
Saturated rings
6
Aliphatic rings
6
Stereo centers
15
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
1
Molar refractivity
128.6
Supplementary Information
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