Glycoside
GD004355
Name:
NoneFormula:
C12H15O6N4ISmiles:
N#CNC(CI)c1cn(C2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]c1=OAglycone:
N#CNC(CI)c1c[nH]c(=O)[nH]c1=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -2.31 | Num_rotatable_bonds: | 5 |
| MolWt: | 438.18 | Num_heavy_atoms: | 23 |
| TPSA: | 160.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD03814
Formula: C7H7O2N4I
Smiles:
N#CNC(CI)c1c[nH]c(=O)[nH]c1=O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 306.06 | Num_heavy_atoms: | 14 |
| TPSA: | 101.54 | NumAromaticRings: | 1 |
