Glycoside
GD034980
Name:
NoneFormula:
C20H17O4N4ClSmiles:
C#Cc1cn([C@@H]2O[C@H]([C@H](O)c3ccc(Cl)cc3)[C@H](O)[C@H]2O)c2ncnc(N)c12Aglycone:
C#CC1=C[N]c2ncnc(N)c21.OCc1ccc(Cl)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.26 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 3 |
| MolWt: | 400.82 | Num_heavy_atoms: | 28 |
| TPSA: | 126.65 | 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 |
AD00636
Formula: C8H5N4
Smiles:
C#CC1=C[N]c2ncnc(N)c21| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 157.16 | Num_heavy_atoms: | 12 |
| TPSA: | 65.9 | NumAromaticRings: | 1 |
