Glycoside
GD129501
Name:
N-[(3,4-dihydroxy-5-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}oxolan-2-yl)methyl]-3-fluorobenzamideFormula:
C23H27O5N4FSmiles:
O=C(CC1OC(CN=C(O)c2cccc(F)c2)C(O)C1O)N1CCN(c2ccccn2)CC1Aglycone:
CC(=O)N1CCN(c2ccccn2)CC1.CN=C(O)c1cccc(F)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 458.49 | Num_heavy_atoms: | 33 |
| TPSA: | 118.72 | NumAromaticRings: | 2 |
Unique Aglycone
AD36294
Formula: C11H15ON3
Smiles:
CC(=O)N1CCN(c2ccccn2)CC1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.45 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 205.26 | Num_heavy_atoms: | 15 |
| TPSA: | 36.44 | NumAromaticRings: | 1 |
AD45078
Formula: C8H8ONF
Smiles:
CN=C(O)c1cccc(F)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 1 |
| MolWt: | 153.16 | Num_heavy_atoms: | 11 |
| TPSA: | 32.59 | NumAromaticRings: | 1 |
