Glycoside
GD009107
Name:
NoneFormula:
C24H24O4N6Smiles:
Nc1ncnc2c1ncn2C1O[C@H](CNC(=O)C(c2ccccc2)c2ccccc2)[C@H](O)[C@H]1OAglycone:
CNC(=O)C(c1ccccc1)c1ccccc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 6 |
| MolWt: | 460.49 | Num_heavy_atoms: | 34 |
| TPSA: | 148.41 | 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 |
AD07180
Formula: C15H15ON
Smiles:
CNC(=O)C(c1ccccc1)c1ccccc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.13 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 3 |
| MolWt: | 225.29 | Num_heavy_atoms: | 17 |
| TPSA: | 29.1 | NumAromaticRings: | 2 |
