Glycoside
GD025900
Name:
NoneFormula:
C16H24O6N5PS2Smiles:
CCCCCCSc1nc(N)c2ncn(C3O[C@H](COP([O-])([O-])=S)[C@H](O)[C@H]3O)c2n1Aglycone:
CCCCCCSc1nc(N)c2c(n1)[N]C=N2.COP([O-])([O-])=SSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 10 |
| MolWt: | 477.51 | Num_heavy_atoms: | 30 |
| TPSA: | 174.66 | NumAromaticRings: | 2 |
Unique Aglycone
AD00286
Formula: C11H16N5S
Smiles:
CCCCCCSc1nc(N)c2c(n1)[N]C=N2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 250.35 | Num_heavy_atoms: | 17 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD09051
Formula: CH3O3PS
Smiles:
COP([O-])([O-])=S| HBA: | 3 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 1 |
| MolWt: | 126.07 | Num_heavy_atoms: | 6 |
| TPSA: | 55.35 | NumAromaticRings: | 0 |
