Glycoside
GD017490
Name:
NoneFormula:
C11H14O6N6Smiles:
NC(=O)c1nn(C2O[C@H](CO)[C@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12Aglycone:
NC(=O)C1=N[N]c2nc(N)[nH]c(=O)c21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.45 |
| AlogP: | -3.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 326.27 | Num_heavy_atoms: | 23 |
| TPSA: | 202.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD12473
Formula: C6H5O2N6
Smiles:
NC(=O)C1=N[N]c2nc(N)[nH]c(=O)c21| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | -2.21 | Num_rotatable_bonds: | 1 |
| MolWt: | 193.15 | Num_heavy_atoms: | 14 |
| TPSA: | 141.32 | NumAromaticRings: | 1 |
