Glycoside
GD045956
Name:
NoneFormula:
C14H20O4N3Smiles:
Cc1cc2[nH+]c(N)n([C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2cc1CAglycone:
Cc1cc2c(cc1C)[NH+]=C(N)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 2 |
| MolWt: | 294.33 | Num_heavy_atoms: | 21 |
| TPSA: | 115.01 | NumAromaticRings: | 2 |
Unique Aglycone
AD25290
Formula: C9H11N3
Smiles:
Cc1cc2c(cc1C)[NH+]=C(N)[N]2| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 0 |
| MolWt: | 161.21 | Num_heavy_atoms: | 12 |
| TPSA: | 54.09 | NumAromaticRings: | 1 |
