Glycoside
GD031771
Name:
NoneFormula:
C19H22O6N6Smiles:
COc1cc2c(cc1CNC[C@@H]1O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]1O)OCO2Aglycone:
CNCc1cc2c(cc1OC)OCO2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 430.42 | Num_heavy_atoms: | 31 |
| TPSA: | 159.03 | 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 |
AD17667
Formula: C10H13O3N
Smiles:
CNCc1cc2c(cc1OC)OCO2| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 195.22 | Num_heavy_atoms: | 14 |
| TPSA: | 39.72 | NumAromaticRings: | 1 |
