Glycoside
GD025613
Name:
NoneFormula:
C13H15O13NF3P3SSmiles:
O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1O[C@H](c2nc3cc(C(F)(F)F)ccc3s2)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O.FC(F)(F)c1ccc2scnc2c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 8 |
| MolWt: | 575.24 | Num_heavy_atoms: | 34 |
| TPSA: | 222.4 | NumAromaticRings: | 2 |
Unique Aglycone
AD00534
Formula: CH7O10P3
Smiles:
COP(=O)(O)OP(=O)(O)OP(=O)(O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 271.98 | Num_heavy_atoms: | 14 |
| TPSA: | 159.82 | NumAromaticRings: | 0 |
AD16962
Formula: C8H4NF3S
Smiles:
FC(F)(F)c1ccc2scnc2c1| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 3.32 | Num_rotatable_bonds: | 0 |
| MolWt: | 203.19 | Num_heavy_atoms: | 13 |
| TPSA: | 12.89 | NumAromaticRings: | 2 |
