Glycoside
GD091245
Name:
NoneFormula:
C17H22O5N5FSSmiles:
OC[C@H]1O[C@@H](n2cc(F)c3c(NC(=S)NC[C@H]4CCCO4)ncnc32)[C@H](O)[C@@H]1OAglycone:
FC1=C[N]c2ncnc(NC(=S)NCC3CCCO3)c21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 427.46 | Num_heavy_atoms: | 29 |
| TPSA: | 133.92 | NumAromaticRings: | 2 |
Unique Aglycone
AD39784
Formula: C12H13ON5FS
Smiles:
FC1=C[N]c2ncnc(NC(=S)NCC3CCCO3)c21| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 3 |
| MolWt: | 294.34 | Num_heavy_atoms: | 20 |
| TPSA: | 73.17 | NumAromaticRings: | 1 |
