Glycoside
GD008345
Name:
NoneFormula:
C12H17O7N4PSmiles:
CP(=O)(O)OC[C@@H]1O[C@H](n2cnc(C(N)=O)c2CC#N)[C@H](O)[C@H]1OAglycone:
COP(C)(=O)O.N#CCC1=C(C(N)=O)N=C[N]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -1.5 | Num_rotatable_bonds: | 6 |
| MolWt: | 360.26 | Num_heavy_atoms: | 24 |
| TPSA: | 180.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD05390
Formula: C2H7O3P
Smiles:
COP(C)(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 1 |
| MolWt: | 110.05 | Num_heavy_atoms: | 6 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
AD06673
Formula: C6H5ON4
Smiles:
N#CCC1=C(C(N)=O)N=C[N]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 2 |
| MolWt: | 149.13 | Num_heavy_atoms: | 11 |
| TPSA: | 93.34 | NumAromaticRings: | 0 |
