Glycoside
GD012943
Name:
NoneFormula:
C9H13O6N3Smiles:
Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[n+]1[O-]Aglycone:
Nc1cc[nH]c(=O)[n+]1[O-]Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -3.32 | Num_rotatable_bonds: | 2 |
| MolWt: | 259.22 | Num_heavy_atoms: | 18 |
| TPSA: | 144.88 | NumAromaticRings: | 1 |
Unique Aglycone
AD04471
Formula: C4H5O2N3
Smiles:
Nc1cc[nH]c(=O)[n+]1[O-]| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 0 |
| MolWt: | 127.1 | Num_heavy_atoms: | 9 |
| TPSA: | 85.82 | NumAromaticRings: | 1 |
