Glycoside
GD062777
Name:
NoneFormula:
C13H17O7N5Smiles:
Cn1c(=O)c2c(ncn2[C@@H]2O[C@@H]([C@H](O)C(N)=O)[C@@H](O)[C@@H]2O)n(C)c1=OAglycone:
Cn1c2c(c(=O)n(C)c1=O)[N]C=N2.NC(=O)COSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -4.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 355.31 | Num_heavy_atoms: | 25 |
| TPSA: | 174.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD03871
Formula: C2H5O2N
Smiles:
NC(=O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 75.07 | Num_heavy_atoms: | 5 |
| TPSA: | 63.32 | NumAromaticRings: | 0 |
AD11760
Formula: C7H7O2N4
Smiles:
Cn1c2c(c(=O)n(C)c1=O)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 0 |
| MolWt: | 179.16 | Num_heavy_atoms: | 13 |
| TPSA: | 70.46 | NumAromaticRings: | 1 |
