Glycoside
GD077950
Name:
NoneFormula:
C16H16O4N5FSSmiles:
OC[C@H]1O[C@@H](n2cnc3c(Nc4cccc(F)c4)[nH]c(=S)nc32)[C@H](O)[C@@H]1OAglycone:
Fc1cccc(Nc2[nH]c(=S)nc3c2N=C[N]3)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 4 |
| MolWt: | 393.4 | Num_heavy_atoms: | 27 |
| TPSA: | 128.45 | NumAromaticRings: | 3 |
Unique Aglycone
AD35722
Formula: C11H7N5FS
Smiles:
Fc1cccc(Nc2[nH]c(=S)nc3c2N=C[N]3)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.93 | Num_rotatable_bonds: | 2 |
| MolWt: | 260.28 | Num_heavy_atoms: | 18 |
| TPSA: | 67.17 | NumAromaticRings: | 2 |
