Glycoside
GD014585
Name:
NoneFormula:
C22H29O4N8FSmiles:
CN1CCN(c2ccc(CNC[C@@H]3O[C@H](n4cnc5c(O)nc(N)nc54)[C@H](O)[C@H]3O)c(F)c2)CC1Aglycone:
CNCc1ccc(N2CCN(C)CC2)cc1F.Nc1nc(O)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 6 |
| MolWt: | 488.52 | Num_heavy_atoms: | 35 |
| TPSA: | 158.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD00080
Formula: C5H4ON5
Smiles:
Nc1nc(O)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.49 | NumAromaticRings: | 1 |
AD10703
Formula: C13H20N3F
Smiles:
CNCc1ccc(N2CCN(C)CC2)cc1F| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.54 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 237.32 | Num_heavy_atoms: | 17 |
| TPSA: | 18.51 | NumAromaticRings: | 1 |
