Glycoside
GD054003
Name:
NoneFormula:
C13H15O7N3Smiles:
O=C(N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccc2nonc2c1Aglycone:
NC(=O)c1ccc2nonc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -2.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 325.28 | Num_heavy_atoms: | 23 |
| TPSA: | 158.17 | NumAromaticRings: | 2 |
Unique Aglycone
AD27522
Formula: C7H5O2N3
Smiles:
NC(=O)c1ccc2nonc2c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 1 |
| MolWt: | 163.14 | Num_heavy_atoms: | 12 |
| TPSA: | 82.01 | NumAromaticRings: | 2 |
