COc1ccc(C(OCC23COC(C(n4cc(C)c(=O)[nH]c4=O)O2)C3OCc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1
SMILES: COc1ccc(C(OCC23COC(C(n4cc(C)c(=O)[nH]c4=O)O2)C3OCc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1

Molecular Processing

Molecular formula
C39H38N2O8
Molecular weight
662.74
Exact mass
662.2628
XLogP
5.12
TPSA
110.24
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
12
Heavy atoms
49
Rings
7
Aromatic rings
5
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.282
Molar refractivity
181.94

Supplementary Information

詳細情報を取得中…

1 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→