Glycoside
GD035483
Name:
NoneFormula:
C17H22O4N8Smiles:
C=Cn1cc(CNC[C@@H]2O[C@H](n3cnc4c(O)nc(N)nc43)[C@H](O)[C@H]2O)c(C)n1Aglycone:
C=Cn1cc(CNC)c(C)n1.Nc1nc(O)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 6 |
| MolWt: | 402.42 | Num_heavy_atoms: | 29 |
| TPSA: | 169.39 | NumAromaticRings: | 3 |
Unique Aglycone
AD00080
Formula: C5H4ON5
Smiles:
Nc1nc(O)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.49 | NumAromaticRings: | 1 |
AD13068
Formula: C8H13N3
Smiles:
C=Cn1cc(CNC)c(C)n1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.38 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 151.21 | Num_heavy_atoms: | 11 |
| TPSA: | 29.85 | NumAromaticRings: | 1 |
