Glycoside
GD030395
Name:
NoneFormula:
C20H19O7N4FSmiles:
O=c1ccn([C@@H]2O[C@H](CNc3c(NCc4cccc(F)c4)c(=O)c3=O)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
CNc1c(NCc2cccc(F)c2)c(=O)c1=O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 7 |
| MolWt: | 446.39 | Num_heavy_atoms: | 32 |
| TPSA: | 162.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD19670
Formula: C12H11O2N2F
Smiles:
CNc1c(NCc2cccc(F)c2)c(=O)c1=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 4 |
| MolWt: | 234.23 | Num_heavy_atoms: | 17 |
| TPSA: | 58.2 | NumAromaticRings: | 2 |
