Glycoside
GD028689
Name:
NoneFormula:
C20H21O4N7Smiles:
Nc1nc(O)c2ncn([C@@H]3O[C@H](CNCc4ccc5ncccc5c4)[C@H](O)[C@H]3O)c2n1Aglycone:
CNCc1ccc2ncccc2c1.Nc1nc(O)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 423.43 | Num_heavy_atoms: | 31 |
| TPSA: | 164.46 | NumAromaticRings: | 4 |
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 |
AD18719
Formula: C11H12N2
Smiles:
CNCc1ccc2ncccc2c1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 2 |
| MolWt: | 172.23 | Num_heavy_atoms: | 13 |
| TPSA: | 24.92 | NumAromaticRings: | 2 |
