Glycoside
GD007044
Name:
NoneFormula:
C21H22O4N5F3SSmiles:
O[C@@H]1C(n2cnc3c(NC4CCOC4)ncnc32)O[C@@H](CSc2ccccc2C(F)(F)F)[C@H]1OAglycone:
C1=Nc2c(ncnc2NC2CCOC2)[N]1.CSc1ccccc1C(F)(F)FSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 6 |
| MolWt: | 497.5 | Num_heavy_atoms: | 34 |
| 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 |
AD05762
Formula: C8H7F3S
Smiles:
CSc1ccccc1C(F)(F)F| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 3.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 192.2 | Num_heavy_atoms: | 12 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
