名称: azadirachtin
SMILES:
C/C=C(\C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C(=O)OC)CO[C@H]3[C@@H](O)[C@@](C)([C@]45O[C@@]4(C)[C@H]4C[C@@H]5O[C@@H]5OC=C[C@@]54O)[C@H]4[C@]1(CO[C@]4(O)C(=O)OC)[C@@H]32Molecular Processing
Molecular formula
C35H44O16
Molecular weight
720.72
Exact mass
720.2629
XLogP
-0.2
TPSA
215.34
H-bond donors
3
H-bond acceptors
16
Rotatable bonds
6
Heavy atoms
51
Rings
8
Aromatic rings
0
Saturated rings
7
Aliphatic rings
8
Stereo centers
16
Undefined stereo
0
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.771
Molar refractivity
164.28
Supplementary Information
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