Glycoside
GD014449
Name:
NoneFormula:
C22H23O3N5FClSSmiles:
O[C@H]1[C@H](O)[C@H](CSc2ccccc2F)O[C@@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc21Aglycone:
CSc1ccccc1F.Clc1nc2c(c(NC3CCCC3)n1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | 3.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 479.97 | Num_heavy_atoms: | 32 |
| TPSA: | 105.32 | NumAromaticRings: | 3 |
Unique Aglycone
AD00055
Formula: C11H11N5Cl
Smiles:
Clc1nc2c(c(NC3CCCC3)n1)N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 2.39 | Num_rotatable_bonds: | 2 |
| MolWt: | 236.69 | Num_heavy_atoms: | 16 |
| 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 |
