Glycoside
GD021964
Name:
NoneFormula:
C28H27O4N6FSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNCc2c(OCc3ccccc3F)ccc3ccccc23)[C@H](O)[C@H]1OAglycone:
CNCc1c(OCc2ccccc2F)ccc2ccccc12.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 8 |
| MolWt: | 530.56 | Num_heavy_atoms: | 39 |
| TPSA: | 140.57 | NumAromaticRings: | 5 |
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 |
AD14945
Formula: C19H18ONF
Smiles:
CNCc1c(OCc2ccccc2F)ccc2ccccc12| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.16 |
| AlogP: | 4.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 295.36 | Num_heavy_atoms: | 22 |
| TPSA: | 21.26 | NumAromaticRings: | 3 |
