Glycoside
GD025413
Name:
NoneFormula:
C19H22O7N6Smiles:
COc1cc(NC(=O)[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)cc(OC)c1OCAglycone:
COc1cc(NC=O)cc(OC)c1OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 6 |
| MolWt: | 446.42 | Num_heavy_atoms: | 32 |
| TPSA: | 176.1 | 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 |
AD16856
Formula: C10H13O4N
Smiles:
COc1cc(NC=O)cc(OC)c1OC| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 211.22 | Num_heavy_atoms: | 15 |
| TPSA: | 56.79 | NumAromaticRings: | 1 |
