Glycoside
...
GD017091

Name:
None

Formula:
C28H29O4N6FS

Smiles:
C[C@H](NC(=O)[C@H](O)[C@H](O)C(=O)N1CCC[C@H]1c1csc(Nc2ccccc2F)n1)c1ccc(-n2cccn2)cc1

Aglycone:
CC(N)c1ccc(-n2cccn2)cc1.Fc1ccccc1Nc1nc(C2CCCN2)cs1

Sugarmoiety:
O=C(O)C(O)C(O)C(=O)O

Other Identifiers

Properties
HBA: 10 RingCount: 5
HBD: 4 FractionCSP3: 0.29
AlogP: 3.47 Num_rotatable_bonds: 9
MolWt: 564.64 Num_heavy_atoms: 40
TPSA: 132.61 NumAromaticRings: 4

Unique Aglycone
AD01153
Formula: C11H13N3

Smiles:
CC(N)c1ccc(-n2cccn2)cc1
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.18
AlogP: 1.89 Num_rotatable_bonds: 2
MolWt: 187.25 Num_heavy_atoms: 14
TPSA: 43.84 NumAromaticRings: 2
AD12245
Formula: C13H14N3FS

Smiles:
Fc1ccccc1Nc1nc(C2CCCN2)cs1
HBA: 3 RingCount: 3
HBD: 2 FractionCSP3: 0.31
AlogP: 3.45 Num_rotatable_bonds: 3
MolWt: 263.34 Num_heavy_atoms: 18
TPSA: 36.95 NumAromaticRings: 2

Sugarmoiety
SD00169

O=C(O)C(O)C(O)C(=O)O