이름: 7-bromo-9(S)-acetoxyacetyl-6,9,11-trihydroxy-5,7,8,9,10,12-hexahydronaphthacene-5,12-dione
SMILES:
CC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2C(Br)C1)C(=O)c1ccccc1C3=OMolecular Processing
Molecular formula
C22H17BrO8
Molecular weight
489.27
Exact mass
488.0107
XLogP
2.12
TPSA
138.2
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
3
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
109.66
Supplementary Information
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