Glycoside
GD077284
Name:
NoneFormula:
C15H15O7N5Smiles:
CC(=O)OC[C@H]1O[C@@H](n2nc(C#N)c(C#N)n2)[C@@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.N#CC1=N[N]N=C1C#NSugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.53 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 377.31 | Num_heavy_atoms: | 27 |
| TPSA: | 166.42 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD35472
Formula: C4N5
Smiles:
N#CC1=N[N]N=C1C#N| HBA: | 5 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 0 |
| MolWt: | 118.08 | Num_heavy_atoms: | 9 |
| TPSA: | 86.4 | NumAromaticRings: | 0 |
