Glycoside
GD104484
Name:
NoneFormula:
C22H21O7N4FSmiles:
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(-c4ccc(F)cc4)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.Fc1ccc(-c2ncnc3c2N=C[N]3)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.36 |
| AlogP: | 1.96 | Num_rotatable_bonds: | 6 |
| MolWt: | 472.43 | Num_heavy_atoms: | 34 |
| TPSA: | 131.73 | NumAromaticRings: | 3 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD05183
Formula: C11H6N4F
Smiles:
Fc1ccc(-c2ncnc3c2N=C[N]3)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 213.2 | Num_heavy_atoms: | 16 |
| TPSA: | 52.24 | NumAromaticRings: | 2 |
