Glycoside
GD016629
Name:
NoneFormula:
C14H19O6N7Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNC(=O)C[C@H](N)C(=O)O)[C@H](O)[C@H]1OAglycone:
CNC(=O)CC(N)C(=O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -3.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 381.35 | Num_heavy_atoms: | 27 |
| TPSA: | 211.73 | 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 |
AD11950
Formula: C5H10O3N2
Smiles:
CNC(=O)CC(N)C(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.6 |
| AlogP: | -1.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 146.15 | Num_heavy_atoms: | 10 |
| TPSA: | 92.42 | NumAromaticRings: | 0 |
