Glycoside
GD077281
Name:
NoneFormula:
C15H15O7N5Smiles:
CC(=O)O[C@H]1CO[C@H](n2nnc(C#N)c2C#N)[C@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
N#CC1=C(C#N)N=N[N]1Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.53 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 377.31 | Num_heavy_atoms: | 27 |
| TPSA: | 166.42 | NumAromaticRings: | 1 |
Unique Aglycone
AD35473
Formula: C4N5
Smiles:
N#CC1=C(C#N)N=N[N]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 0 |
| MolWt: | 118.08 | Num_heavy_atoms: | 9 |
| TPSA: | 86.4 | NumAromaticRings: | 0 |
