Glycoside
GD017143
Name:
NoneFormula:
C19H20O5N6Smiles:
CCC(=O)c1ccccc1NC(=O)[C@@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CCC(=O)c1ccccc1NC=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 0.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 412.41 | Num_heavy_atoms: | 30 |
| TPSA: | 165.48 | 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 |
AD12272
Formula: C10H11O2N
Smiles:
CCC(=O)c1ccccc1NC=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 4 |
| MolWt: | 177.2 | Num_heavy_atoms: | 13 |
| TPSA: | 46.17 | NumAromaticRings: | 1 |
