SMILES:
COc1ccc(Cn2c(=O)ccn([C@@H]3OC([C@H](O)[C@H](NCCCNC(=O)[C@@H](N)CC(C)C)C(=O)OC(C)(C)C)[C@@H](O)[C@H]3O)c2=O)cc1Molecular Processing
Molecular formula
C32H49N5O10
Molecular weight
663.77
Exact mass
663.3479
XLogP
-0.77
TPSA
216.6
H-bond donors
6
H-bond acceptors
12
Rotatable bonds
15
Heavy atoms
47
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
7
Undefined stereo
1
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
171.68
Supplementary Information
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