Glycoside
GD036662
Name:
NoneFormula:
C20H20O4N6Smiles:
NC(=O)c1cccc(C#CCC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)c1Aglycone:
CCC#Cc1cccc(C(N)=O)c1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 408.42 | Num_heavy_atoms: | 30 |
| TPSA: | 162.4 | NumAromaticRings: | 3 |
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 |
AD23121
Formula: C11H11ON
Smiles:
CCC#Cc1cccc(C(N)=O)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 173.21 | Num_heavy_atoms: | 13 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
