Glycoside
GD006533
Name:
NoneFormula:
C23H26O3N5FSSmiles:
O[C@H]1[C@H](O)[C@H](CSc2ccccc2F)O[C@@H]1n1cnc2c(N[C@@H]3C[C@@H]4CC[C@H]3C4)ncnc21Aglycone:
C1=Nc2c(ncnc2NC2CC3CCC2C3)[N]1.CSc1ccccc1FSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.52 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 6 |
| MolWt: | 471.56 | Num_heavy_atoms: | 33 |
| TPSA: | 105.32 | NumAromaticRings: | 3 |
Unique Aglycone
AD00439
Formula: C12H14N5
Smiles:
C1=Nc2c(ncnc2NC2CC3CCC2C3)[N]1| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 2 |
| MolWt: | 228.28 | Num_heavy_atoms: | 17 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
AD04877
Formula: C7H7FS
Smiles:
CSc1ccccc1F| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 142.2 | Num_heavy_atoms: | 9 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
