COC1(c2ccc(Cl)c(Cc3ccc4c(c3)N(Cc3ccccc3)CC3(CC3)O4)c2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Nombre: (3R,4S,5S,6R)-2-[3-[(4-benzylspiro[3H-1,4-benzoxazine-2,1′-cyclopropane]-6-yl)methyl]-4-chloro-phenyl]-6-(hydroxymethyl)-2-methoxy-tetrahydropyran-3,4,5-triol
SMILES: COC1(c2ccc(Cl)c(Cc3ccc4c(c3)N(Cc3ccccc3)CC3(CC3)O4)c2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Molecular Processing

Molecular formula
C31H34ClNO7
Molecular weight
568.07
Exact mass
567.2024
XLogP
3.14
TPSA
111.85
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
40
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
5
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.419
Molar refractivity
149.45

Supplementary Information

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