名称: Salvinorin A
SMILES:
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21CMolecular Processing
Molecular formula
C23H28O8
Molecular weight
432.47
Exact mass
432.1784
XLogP
3
TPSA
109.11
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
3
Heavy atoms
31
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
7
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.652
Molar refractivity
105.27
Supplementary Information
詳細情報を取得中…
4 件の反応に参加→