Glycoside
GD013099
Name:
NoneFormula:
C20H21O4N5F2SSmiles:
O[C@H]1[C@H](O)[C@H](CSc2ccc(F)cc2F)O[C@@H]1n1cnc2c(NC3CCOC3)ncnc21Aglycone:
C1=Nc2c(ncnc2NC2CCOC2)[N]1.CSc1ccc(F)cc1FSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 6 |
| MolWt: | 465.48 | Num_heavy_atoms: | 32 |
| TPSA: | 114.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD01177
Formula: C9H10ON5
Smiles:
C1=Nc2c(ncnc2NC2CCOC2)[N]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 204.21 | Num_heavy_atoms: | 15 |
| TPSA: | 73.5 | NumAromaticRings: | 1 |
AD09822
Formula: C7H6F2S
Smiles:
CSc1ccc(F)cc1F| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 160.19 | Num_heavy_atoms: | 10 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
