Glycoside
GD101183
Name:
NoneFormula:
C16H15O4N5FISmiles:
OC[C@H]1O[C@@H](n2cnc3c(Nc4cccc(F)c4)nc(I)nc32)[C@H](O)[C@@H]1OAglycone:
Fc1cccc(Nc2nc(I)nc3c2N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 4 |
| MolWt: | 487.23 | Num_heavy_atoms: | 27 |
| TPSA: | 125.55 | NumAromaticRings: | 3 |
Unique Aglycone
AD42773
Formula: C11H6N5FI
Smiles:
Fc1cccc(Nc2nc(I)nc3c2N=C[N]3)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 354.11 | Num_heavy_atoms: | 18 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
