Glycoside
GD131778
Name:
NoneFormula:
C17H20O6N3FSmiles:
COCC(O)=NCC1OC(Cc2nc(-c3ccc(F)cc3)no2)C(O)C1OAglycone:
CN=C(O)COC.Cc1nc(-c2ccc(F)cc2)no1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.47 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 7 |
| MolWt: | 381.36 | Num_heavy_atoms: | 27 |
| TPSA: | 130.43 | NumAromaticRings: | 2 |
Unique Aglycone
AD21841
Formula: C9H7ON2F
Smiles:
Cc1nc(-c2ccc(F)cc2)no1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.11 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 178.17 | Num_heavy_atoms: | 13 |
| TPSA: | 38.92 | NumAromaticRings: | 2 |
AD47644
Formula: C4H9O2N
Smiles:
CN=C(O)COC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 103.12 | Num_heavy_atoms: | 7 |
| TPSA: | 41.82 | NumAromaticRings: | 0 |
