Glycoside
GD026351
Name:
NoneFormula:
C13H19O3N7Smiles:
NCC=CNC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CNC=CCN.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -1.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 321.34 | Num_heavy_atoms: | 23 |
| TPSA: | 157.36 | NumAromaticRings: | 2 |
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 |
AD17375
Formula: C4H10N2
Smiles:
CNC=CCN| HBA: | 2 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 2 |
| MolWt: | 86.14 | Num_heavy_atoms: | 6 |
| TPSA: | 38.05 | NumAromaticRings: | 0 |
