Glycoside
GD037359
Name:
NoneFormula:
C18H22O3N6Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNCCc2ccccc2)[C@H](O)[C@H]1OAglycone:
CNCCc1ccccc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 370.41 | Num_heavy_atoms: | 27 |
| TPSA: | 131.34 | 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 |
AD09812
Formula: C9H13N
Smiles:
CNCCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 135.21 | Num_heavy_atoms: | 10 |
| TPSA: | 12.03 | NumAromaticRings: | 1 |
