Glycoside
GD024162
Name:
NoneFormula:
C10H11O5N3Smiles:
N#Cc1cc[n+]([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)nc1[O-]Aglycone:
N#Cc1cc[nH+]nc1[O-]Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -3.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 253.21 | Num_heavy_atoms: | 18 |
| TPSA: | 133.54 | NumAromaticRings: | 1 |
Unique Aglycone
AD13587
Formula: C5H3ON3
Smiles:
N#Cc1cc[nH+]nc1[O-]| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 0 |
| MolWt: | 121.1 | Num_heavy_atoms: | 9 |
| TPSA: | 73.88 | NumAromaticRings: | 1 |
