Glycoside
GD050733
Name:
NoneFormula:
C12H14O6N4Smiles:
N#Cc1cnc(C(=O)N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cn1Aglycone:
N#Cc1cnc(C(N)=O)cn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -3.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 310.27 | Num_heavy_atoms: | 22 |
| TPSA: | 168.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD26712
Formula: C6H4ON4
Smiles:
N#Cc1cnc(C(N)=O)cn1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 148.12 | Num_heavy_atoms: | 11 |
| TPSA: | 92.66 | NumAromaticRings: | 1 |
