Glycoside
GD008082
Name:
ISONIAZID GLUCURONATEFormula:
C12H15O7N3Smiles:
O=C(NN=C[C@H](O)[C@H](O)[C@H](O)[C@H](O)C(=O)O)c1ccncc1Aglycone:
C=NNC(=O)c1ccncc1Sugarmoiety:
O=C(O)C(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.33 |
| AlogP: | -2.67 | Num_rotatable_bonds: | 7 |
| MolWt: | 313.27 | Num_heavy_atoms: | 22 |
| TPSA: | 172.57 | NumAromaticRings: | 1 |
Unique Aglycone
AD02685
Formula: C7H7ON3
Smiles:
C=NNC(=O)c1ccncc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 2 |
| MolWt: | 149.15 | Num_heavy_atoms: | 11 |
| TPSA: | 54.35 | NumAromaticRings: | 1 |
