Glycoside
GD062772
Name:
NoneFormula:
C14H17O6N5Smiles:
CC(=O)[C@@H](O)[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@]1(O)C(C)=OAglycone:
CC(=O)CO.Nc1ncnc2c1N=C[N]2Sugarmoiety:
CC(=O)C1(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -2.06 | Num_rotatable_bonds: | 4 |
| MolWt: | 351.32 | Num_heavy_atoms: | 25 |
| TPSA: | 173.68 | NumAromaticRings: | 2 |
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 |
AD12135
Formula: C3H6O2
Smiles:
CC(=O)CO| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
