COC1C(OC(C(NCCCNC(=O)C(NC(=O)C(NC(=O)NC(C(=O)O)C(C)C)C2CCNC(=N)N2)C(O)C(C)C)C(=O)O)C2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)OC(CN)C1O
SMILES: COC1C(OC(C(NCCCNC(=O)C(NC(=O)C(NC(=O)NC(C(=O)O)C(C)C)C2CCNC(=N)N2)C(O)C(C)C)C(=O)O)C2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)OC(CN)C1O

Molecular Processing

Molecular formula
C38H63N11O17
Molecular weight
945.98
Exact mass
945.4403
XLogP
-6.69
TPSA
432.59
H-bond donors
16
H-bond acceptors
18
Rotatable bonds
23
Heavy atoms
66
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
15
Undefined stereo
15
Formal charge
0
Heteroatoms
28
Covalent units
1
Fraction Csp3
0.737
Molar refractivity
225.45

Supplementary Information

Récupération des détails…

Impliqué dans 12 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→