Glycoside
GD107022
Name:
NoneFormula:
C14H28O12N5F2P3SSmiles:
CCCSc1nc(N)c2ncn([C@H]3O[C@@H](CO[PH](O)(O)O[PH](O)(O)C(F)(F)[PH](O)(O)O)[C@H](O)[C@H]3O)c2n1Aglycone:
CCCSc1nc(N)c2c(n1)[N]C=N2.CO[PH](O)(O)O[PH](O)(O)C(F)(F)[PH](O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.64 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 11 |
| MolWt: | 621.39 | Num_heavy_atoms: | 37 |
| TPSA: | 279.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD02743
Formula: C8H10N5S
Smiles:
CCCSc1nc(N)c2c(n1)[N]C=N2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.27 | Num_heavy_atoms: | 14 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD44167
Formula: C2H13O9F2P3
Smiles:
CO[PH](O)(O)O[PH](O)(O)C(F)(F)[PH](O)(O)O| HBA: | 9 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -1.45 | Num_rotatable_bonds: | 5 |
| MolWt: | 312.03 | Num_heavy_atoms: | 16 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
