Glycoside
GD007046
Name:
NoneFormula:
C14H20O4N6Smiles:
OC[C@@H]1O[C@H](n2cnc3c(NN4CCCC4)ncnc32)[C@H](O)[C@H]1OAglycone:
C1=Nc2c(ncnc2NN2CCCC2)[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 4 |
| MolWt: | 336.35 | Num_heavy_atoms: | 24 |
| TPSA: | 128.79 | NumAromaticRings: | 2 |
Unique Aglycone
AD05764
Formula: C9H11N6
Smiles:
C1=Nc2c(ncnc2NN2CCCC2)[N]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 203.23 | Num_heavy_atoms: | 15 |
| TPSA: | 67.51 | NumAromaticRings: | 1 |
