Glycoside
GD023434
Name:
NoneFormula:
C9H13O9N3FPSmiles:
Nc1c(F)c(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)O.Nc1[nH]c(=O)[nH]c(=O)c1FSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -3.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 357.19 | Num_heavy_atoms: | 23 |
| TPSA: | 197.33 | NumAromaticRings: | 1 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD06997
Formula: C4H4O2N3F
Smiles:
Nc1[nH]c(=O)[nH]c(=O)c1F| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 0 |
| MolWt: | 145.09 | Num_heavy_atoms: | 10 |
| TPSA: | 91.74 | NumAromaticRings: | 1 |
