Glycoside
GD009081
Name:
NoneFormula:
C22H23O3N7Smiles:
C#CCn1cc(CNC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)c2ccccc21Aglycone:
C#CCn1cc(CNC)c2ccccc21.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 433.47 | Num_heavy_atoms: | 32 |
| TPSA: | 136.27 | NumAromaticRings: | 4 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD07164
Formula: C13H14N2
Smiles:
C#CCn1cc(CNC)c2ccccc21| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 3 |
| MolWt: | 198.27 | Num_heavy_atoms: | 15 |
| TPSA: | 16.96 | NumAromaticRings: | 2 |
