Glycoside
GD037584
Name:
NoneFormula:
C19H16O4N5ClSmiles:
C#Cc1nn([C@@H]2O[C@H]([C@H](O)c3ccc(Cl)cc3)[C@H](O)[C@H]2O)c2ncnc(N)c12Aglycone:
C#CC1=N[N]c2ncnc(N)c21.OCc1ccc(Cl)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.28 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 401.81 | Num_heavy_atoms: | 28 |
| TPSA: | 139.54 | NumAromaticRings: | 3 |
Unique Aglycone
AD00253
Formula: C8H7OCl
Smiles:
OCc1ccc(Cl)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 142.59 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD22037
Formula: C7H4N5
Smiles:
C#CC1=N[N]c2ncnc(N)c21| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 0 |
| MolWt: | 158.14 | Num_heavy_atoms: | 12 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
