Glycoside

GD139457
Name:
2-[3,4-dihydroxy-5-({[(pyridin-2-yl)methyl]amino}methyl)oxolan-2-yl]-N-[(4-fluorophenyl)methyl]acetamideFormula:
C20H24O4N3FSmiles:
OC(CC1OC(CNCc2ccccn2)C(O)C1O)=NCc1ccc(F)cc1Aglycone:
CC(O)=NCc1ccc(F)cc1.CNCc1ccccn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
HBA: | 7 | RingCount: | 3 |
HBD: | 4 | FractionCSP3: | 0.4 |
AlogP: | 1.35 | Num_rotatable_bonds: | 8 |
MolWt: | 389.43 | Num_heavy_atoms: | 28 |
TPSA: | 107.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD20141
Formula: C7H10N2
Smiles:
CNCc1ccccn1HBA: | 2 | RingCount: | 1 |
HBD: | 1 | FractionCSP3: | 0.29 |
AlogP: | 0.8 | Num_rotatable_bonds: | 2 |
MolWt: | 122.17 | Num_heavy_atoms: | 9 |
TPSA: | 24.92 | NumAromaticRings: | 1 |
AD45426
Formula: C9H10ONF
Smiles:
CC(O)=NCc1ccc(F)cc1HBA: | 2 | RingCount: | 1 |
HBD: | 1 | FractionCSP3: | 0.22 |
AlogP: | 2.3 | Num_rotatable_bonds: | 2 |
MolWt: | 167.18 | Num_heavy_atoms: | 12 |
TPSA: | 32.59 | NumAromaticRings: | 1 |