Glycoside
GD028070
Name:
NoneFormula:
C21H26O5N7FSmiles:
Nc1nc(O)c2ncn([C@@H]3O[C@H](CNCc4ccc(F)c(N5CCOCC5)c4)[C@H](O)[C@H]3O)c2n1Aglycone:
CNCc1ccc(F)c(N2CCOCC2)c1.Nc1nc(O)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 6 |
| MolWt: | 475.48 | Num_heavy_atoms: | 34 |
| TPSA: | 164.04 | 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 |
AD18377
Formula: C12H17ON2F
Smiles:
CNCc1ccc(F)c(N2CCOCC2)c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 224.28 | Num_heavy_atoms: | 16 |
| TPSA: | 24.5 | NumAromaticRings: | 1 |
