Glycoside
GD014038
Name:
NoneFormula:
C25H27O3N5FClSSmiles:
C[C@]1(O)[C@H](O)[C@H](CSc2ccccc2F)O[C@H]1n1cnc2c(NC3CC4CCC3C4)nc(Cl)nc21Aglycone:
CSc1ccccc1F.Clc1nc2c(c(NC3CC4CCC3C4)n1)N=C[N]2Sugarmoiety:
CC1(O)C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | 4.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 520.03 | Num_heavy_atoms: | 35 |
| TPSA: | 105.32 | NumAromaticRings: | 3 |
Unique Aglycone
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 |
AD10395
Formula: C13H13N5Cl
Smiles:
Clc1nc2c(c(NC3CC4CCC3C4)n1)N=C[N]2| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 262.72 | Num_heavy_atoms: | 18 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
