Glycoside
GD151951
Name:
f-met iiFormula:
C16H23O11N6FSSmiles:
Nc1ncnc2c1ncn2C1OC(F)(COS(N)(=O)=O)C(OC2OC(CO)C(O)C(O)C2O)C1OAglycone:
COS(N)(=O)=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(OC2C(O)C(O)OC2(O)F)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.69 |
| AlogP: | -4.63 | Num_rotatable_bonds: | 7 |
| MolWt: | 526.46 | Num_heavy_atoms: | 35 |
| TPSA: | 267.85 | NumAromaticRings: | 2 |
Unique Aglycone
AD00036
Formula: CH5O3NS
Smiles:
COS(N)(=O)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.39 | NumAromaticRings: | 0 |
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
