Glycoside
GD082279
Name:
NoneFormula:
C11H14O6N3ISmiles:
O=C(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1nccnc1IAglycone:
NC(=O)c1nccnc1ISugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -2.39 | Num_rotatable_bonds: | 3 |
| MolWt: | 411.15 | Num_heavy_atoms: | 21 |
| TPSA: | 145.03 | NumAromaticRings: | 1 |
Unique Aglycone
AD36953
Formula: C5H4ON3I
Smiles:
NC(=O)c1nccnc1I| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 249.01 | Num_heavy_atoms: | 10 |
| TPSA: | 68.87 | NumAromaticRings: | 1 |
