Glycoside
GD014197
Name:
NoneFormula:
C25H24O3N6Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNCc2cccc(C#Cc3ccccc3)c2)[C@H](O)[C@H]1OAglycone:
CNCc1cccc(C#Cc2ccccc2)c1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.24 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 5 |
| MolWt: | 456.51 | Num_heavy_atoms: | 34 |
| TPSA: | 131.34 | 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 |
AD10477
Formula: C16H15N
Smiles:
CNCc1cccc(C#Cc2ccccc2)c1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 221.3 | Num_heavy_atoms: | 17 |
| TPSA: | 12.03 | NumAromaticRings: | 2 |
