Glycoside
GD018610
Name:
NoneFormula:
C18H20O10N6FPSmiles:
C[C@H](NP(=O)(OC[C@@H]1O[C@H](n2c(N=[N+]=[N-])c(F)c(=O)[nH]c2=O)[C@H](O)[C@H]1O)Oc1ccccc1)C(=O)OAglycone:
COP(=O)(NC(C)C(=O)O)Oc1ccccc1.[N-]=[N+]=Nc1[nH]c(=O)[nH]c(=O)c1FSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 10 |
| MolWt: | 530.36 | Num_heavy_atoms: | 36 |
| TPSA: | 238.17 | NumAromaticRings: | 2 |
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 |
AD13096
Formula: C10H14O5NP
Smiles:
COP(=O)(NC(C)C(=O)O)Oc1ccccc1| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 6 |
| MolWt: | 259.2 | Num_heavy_atoms: | 17 |
| TPSA: | 84.86 | NumAromaticRings: | 1 |
