Glycoside
GD032766
Name:
NoneFormula:
C20H24O4N6SSmiles:
CC(C)(O)C#Cc1ccc(CNC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)s1Aglycone:
CNCc1ccc(C#CC(C)(C)O)s1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 444.52 | Num_heavy_atoms: | 31 |
| TPSA: | 151.57 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD19624
Formula: C11H15ONS
Smiles:
CNCc1ccc(C#CC(C)(C)O)s1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 1.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 209.31 | Num_heavy_atoms: | 14 |
| TPSA: | 32.26 | NumAromaticRings: | 1 |
