Glycoside
GD077475
Name:
NoneFormula:
C18H23O5N4FSmiles:
CC(C)NC(=O)NC[C@H]1O[C@@H](Cc2nc(-c3ccc(F)cc3)no2)[C@H](O)[C@@H]1OAglycone:
CNC(=O)NC(C)C.Cc1nc(-c2ccc(F)cc2)no1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 6 |
| MolWt: | 394.4 | Num_heavy_atoms: | 28 |
| TPSA: | 129.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD21840
Formula: C5H12ON2
Smiles:
CNC(=O)NC(C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 1 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 41.13 | NumAromaticRings: | 0 |
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 |
