CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)C4=O)C3=O
Name: gambogic acid
SMILES: CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)C4=O)C3=O

Molecular Processing

Molecular formula
C38H44O8
Molecular weight
628.76
Exact mass
628.3036
XLogP
7.24
TPSA
119.36
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
46
Rings
7
Aromatic rings
1
Saturated rings
2
Aliphatic rings
6
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
174.26

Supplementary Information

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