Glycoside
GD025044
Name:
NoneFormula:
C28H30O4N5FSSmiles:
O[C@H]1[C@H](O)[C@H](CSc2ccccc2F)O[C@@H]1n1cnc2c(N[C@@H]3CCC[C@H]3OCc3ccccc3)ncnc21Aglycone:
C1=Nc2c(ncnc2NC2CCCC2OCc2ccccc2)[N]1.CSc1ccccc1FSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 3.93 | Num_rotatable_bonds: | 9 |
| MolWt: | 551.64 | Num_heavy_atoms: | 39 |
| TPSA: | 114.55 | NumAromaticRings: | 4 |
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 |
AD11627
Formula: C17H18ON5
Smiles:
C1=Nc2c(ncnc2NC2CCCC2OCc2ccccc2)[N]1| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.35 |
| AlogP: | 2.94 | Num_rotatable_bonds: | 5 |
| MolWt: | 308.36 | Num_heavy_atoms: | 23 |
| TPSA: | 73.5 | NumAromaticRings: | 2 |
