名称: (3β,5α,12β,25R)spirostan-3,12-diol-11-one
SMILES:
C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C(=O)[C@@H](O)[C@]3(C)[C@H]1[C@@H]2CMolecular Processing
Molecular formula
C27H42O5
Molecular weight
446.63
Exact mass
446.3032
XLogP
3.94
TPSA
75.99
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
0
Heavy atoms
32
Rings
6
Aromatic rings
0
Saturated rings
6
Aliphatic rings
6
Stereo centers
13
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.963
Molar refractivity
119.5
Supplementary Information
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