Glycoside
GD019405
Name:
NoneFormula:
C19H31O11N5Smiles:
CNC(=O)c1cn([C@@H]2[C@H](O)[C@H](O[C@@H]3[C@H](CO)O[C@H](OC)[C@H](NC(C)=O)[C@H]3O)O[C@H](CO)[C@H]2O)nn1Aglycone:
CNC(=O)C1=C[N]N=N1Sugarmoiety:
COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1NC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.79 |
| AlogP: | -4.77 | Num_rotatable_bonds: | 8 |
| MolWt: | 505.48 | Num_heavy_atoms: | 35 |
| TPSA: | 226.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD13549
Formula: C4H5ON4
Smiles:
CNC(=O)C1=C[N]N=N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 1 |
| MolWt: | 125.11 | Num_heavy_atoms: | 9 |
| TPSA: | 67.92 | NumAromaticRings: | 0 |
