Glycoside
GD050906
Name:
NoneFormula:
C13H12O6N4Smiles:
N#Cc1ccc(-c2noc([C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)n2)nc1Aglycone:
N#Cc1ccc(-c2ncon2)nc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -1.52 | Num_rotatable_bonds: | 2 |
| MolWt: | 320.26 | Num_heavy_atoms: | 23 |
| TPSA: | 165.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD26766
Formula: C8H4ON4
Smiles:
N#Cc1ccc(-c2ncon2)nc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 1 |
| MolWt: | 172.15 | Num_heavy_atoms: | 13 |
| TPSA: | 75.6 | NumAromaticRings: | 2 |
