Glycoside
GD100643
Name:
NoneFormula:
C15H21O7N5FPSSmiles:
O[C@H]1[C@H](O)[C@H](n2cnc3c(N=C4CCSCC4)nc(F)nc32)O[C@@H]1CO[PH](O)(O)OAglycone:
CO[PH](O)(O)O.Fc1nc2c(c(N=C3CCSCC3)n1)N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 5 |
| MolWt: | 465.4 | Num_heavy_atoms: | 30 |
| TPSA: | 175.57 | NumAromaticRings: | 2 |
Unique Aglycone
AD01852
Formula: CH7O4P
Smiles:
CO[PH](O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.98 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.04 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD42485
Formula: C10H9N5FS
Smiles:
Fc1nc2c(c(N=C3CCSCC3)n1)N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.4 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 1 |
| MolWt: | 250.28 | Num_heavy_atoms: | 17 |
| TPSA: | 64.6 | NumAromaticRings: | 1 |
