Glycoside
GD009447
Name:
NoneFormula:
C11H14O5N8Smiles:
Nc1ncnc2c1ncn2C1O[C@H](CNC(=O)N=NO)[C@H](O)[C@H]1OAglycone:
CNC(=O)N=NO.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 338.28 | Num_heavy_atoms: | 24 |
| TPSA: | 193.36 | 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 |
AD07404
Formula: C2H5O2N3
Smiles:
CNC(=O)N=NO| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 0 |
| MolWt: | 103.08 | Num_heavy_atoms: | 7 |
| TPSA: | 74.05 | NumAromaticRings: | 0 |
