Glycoside
GD137006
Name:
NoneFormula:
C20H22O9N3F3Smiles:
COC(=O)COCC(O)=NCC1OC(Cc2nc(-c3ccc(OC(F)(F)F)cc3)no2)C(O)C1OAglycone:
CN=C(O)COCC(=O)OC.Cc1nc(-c2ccc(OC(F)(F)F)cc2)no1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 10 |
| MolWt: | 505.4 | Num_heavy_atoms: | 35 |
| TPSA: | 165.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD38152
Formula: C10H7O2N2F3
Smiles:
Cc1nc(-c2ccc(OC(F)(F)F)cc2)no1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 2.94 | Num_rotatable_bonds: | 2 |
| MolWt: | 244.17 | Num_heavy_atoms: | 17 |
| TPSA: | 48.15 | NumAromaticRings: | 2 |
AD55369
Formula: C6H11O4N
Smiles:
CN=C(O)COCC(=O)OC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 4 |
| MolWt: | 161.16 | Num_heavy_atoms: | 11 |
| TPSA: | 68.12 | NumAromaticRings: | 0 |
