Glycoside
GD025877
Name:
NoneFormula:
C20H25O4N7Smiles:
Cc1cc(CNC[C@@H]2O[C@H](n3cnc(C(N)=O)n3)[C@H](O)[C@H]2O)c(C)n1-c1cccnc1Aglycone:
CNCc1cc(C)n(-c2cccnc2)c1C.NC(=O)C1=N[N]C=N1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 7 |
| MolWt: | 427.47 | Num_heavy_atoms: | 31 |
| TPSA: | 153.34 | NumAromaticRings: | 3 |
Unique Aglycone
AD00218
Formula: C3H3ON4
Smiles:
NC(=O)C1=N[N]C=N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.08 | Num_heavy_atoms: | 8 |
| TPSA: | 81.91 | NumAromaticRings: | 0 |
AD17106
Formula: C13H17N3
Smiles:
CNCc1cc(C)n(-c2cccnc2)c1C| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 3 |
| MolWt: | 215.3 | Num_heavy_atoms: | 16 |
| TPSA: | 29.85 | NumAromaticRings: | 2 |
