Glycoside
GD029980
Name:
NoneFormula:
C15H19O4N7Smiles:
Cc1cc(CNC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)no1Aglycone:
CNCc1cc(C)on1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 5 |
| MolWt: | 361.36 | Num_heavy_atoms: | 26 |
| TPSA: | 157.37 | 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 |
AD19438
Formula: C6H10ON2
Smiles:
CNCc1cc(C)on1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 126.16 | Num_heavy_atoms: | 9 |
| TPSA: | 38.06 | NumAromaticRings: | 1 |
