Glycoside
GD005545
Name:
NoneFormula:
C12H13O11N2FP2Cl2Smiles:
O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)C(Cl)(Cl)P(=O)(O)O)[C@H](O)[C@H]2O)cc1FAglycone:
COP(=O)(O)C(Cl)(Cl)P(=O)(O)O.O=c1[nH]cc(F)c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 6 |
| MolWt: | 489.07 | Num_heavy_atoms: | 28 |
| TPSA: | 208.61 | NumAromaticRings: | 1 |
Unique Aglycone
AD01634
Formula: C4H3O2N2F
Smiles:
O=c1[nH]cc(F)c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 0 |
| MolWt: | 130.08 | Num_heavy_atoms: | 9 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD04700
Formula: C4H6O6P2Cl2
Smiles:
COP(=O)(O)C(Cl)(Cl)P(=O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 3 |
| MolWt: | 258.92 | Num_heavy_atoms: | 12 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
