Glycoside
GD137254
Name:
N-{[3,4-dihydroxy-5-({[(pyridin-3-yl)methyl]carbamoyl}methyl)oxolan-2-yl]methyl}-3-fluorobenzamideFormula:
C20H22O5N3FSmiles:
OC(CC1OC(CN=C(O)c2cccc(F)c2)C(O)C1O)=NCc1cccnc1Aglycone:
CC(O)=NCc1cccnc1.CN=C(O)c1cccc(F)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 403.41 | Num_heavy_atoms: | 29 |
| TPSA: | 127.76 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD46357
Formula: C8H10ON2
Smiles:
CC(O)=NCc1cccnc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.56 | Num_rotatable_bonds: | 2 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 45.48 | NumAromaticRings: | 1 |
