Glycoside
GD011669
Name:
GS-9667Formula:
C21H24O4N5FSSmiles:
O[C@H]1[C@H](O)[C@H](CSc2ccccc2F)O[C@@H]1n1cnc2c(N[C@@H]3CCC[C@H]3O)ncnc21Aglycone:
CSc1ccccc1F.OC1CCCC1Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 6 |
| MolWt: | 461.52 | Num_heavy_atoms: | 32 |
| TPSA: | 125.55 | 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 |
AD07666
Formula: C10H12ON5
Smiles:
OC1CCCC1Nc1ncnc2c1N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 218.24 | Num_heavy_atoms: | 16 |
| TPSA: | 84.5 | NumAromaticRings: | 1 |
