Glycoside
GD020828
Name:
NoneFormula:
C14H22O9N3Smiles:
NC1=NC(=O)[N+]([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)C=C1Aglycone:
NC1=NC(=O)[NH2+]C=C1Sugarmoiety:
OCC1OC(OC2OC(CO)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.71 |
| AlogP: | -4.31 | Num_rotatable_bonds: | 4 |
| MolWt: | 376.34 | Num_heavy_atoms: | 26 |
| TPSA: | 195.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD14320
Formula: C4H6ON3
Smiles:
NC1=NC(=O)[NH2+]C=C1| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.11 | Num_heavy_atoms: | 8 |
| TPSA: | 72.06 | NumAromaticRings: | 0 |
