Glycoside

GD005397
Name:
NoneFormula:
C20H19O3N9FClSmiles:
CCn1nnc([C@@H]2O[C@H](n3cnc4c(NCc5ccc(Cl)cc5F)ncnc43)[C@H](O)[C@H]2O)n1Aglycone:
CCn1ncnn1.Fc1cc(Cl)ccc1CNc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 12 | RingCount: | 5 |
HBD: | 3 | FractionCSP3: | 0.37 |
AlogP: | 1.23 | Num_rotatable_bonds: | 6 |
MolWt: | 475.87 | Num_heavy_atoms: | 33 |
TPSA: | 148.92 | NumAromaticRings: | 4 |
Unique Aglycone
AD00166
Formula: C3H6N4
Smiles:
CCn1ncnn1HBA: | 4 | RingCount: | 1 |
HBD: | 0 | FractionCSP3: | 0.67 |
AlogP: | -0.31 | Num_rotatable_bonds: | 1 |
MolWt: | 98.11 | Num_heavy_atoms: | 7 |
TPSA: | 43.6 | NumAromaticRings: | 1 |
AD04589
Formula: C13H8N5FCl
Smiles:
Fc1cc(Cl)ccc1CNc1ncnc2c1N=C[N]2HBA: | 5 | RingCount: | 3 |
HBD: | 1 | FractionCSP3: | 0.08 |
AlogP: | 2.79 | Num_rotatable_bonds: | 3 |
MolWt: | 276.68 | Num_heavy_atoms: | 19 |
TPSA: | 64.27 | NumAromaticRings: | 2 |