Glycoside
GD025265
Name:
NoneFormula:
C12H16O10N6FPSmiles:
C[C@H](NP(=O)(O)OC[C@@H]1O[C@H](n2c(N=[N+]=[N-])c(F)c(=O)[nH]c2=O)[C@H](O)[C@H]1O)C(=O)OAglycone:
COP(=O)(O)NC(C)C(=O)O.[N-]=[N+]=Nc1[nH]c(=O)[nH]c(=O)c1FSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | -1.58 | Num_rotatable_bonds: | 8 |
| MolWt: | 454.26 | Num_heavy_atoms: | 30 |
| TPSA: | 249.17 | NumAromaticRings: | 1 |
Unique Aglycone
AD00180
Formula: C4H2O2N5F
Smiles:
[N-]=[N+]=Nc1[nH]c(=O)[nH]c(=O)c1F| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 171.09 | Num_heavy_atoms: | 12 |
| TPSA: | 114.48 | NumAromaticRings: | 1 |
AD13237
Formula: C4H10O5NP
Smiles:
COP(=O)(O)NC(C)C(=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.75 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 4 |
| MolWt: | 183.1 | Num_heavy_atoms: | 11 |
| TPSA: | 95.86 | NumAromaticRings: | 0 |
