Glycoside
GD129640
Name:
N-({3,4-dihydroxy-5-[(phenylcarbamoyl)methyl]oxolan-2-yl}methyl)-3-fluorobenzamideFormula:
C20H21O5N2FSmiles:
OC(CC1OC(CN=C(O)c2cccc(F)c2)C(O)C1O)=Nc1ccccc1Aglycone:
CC(O)=Nc1ccccc1.CN=C(O)c1cccc(F)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 6 |
| MolWt: | 388.4 | Num_heavy_atoms: | 28 |
| TPSA: | 114.87 | 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 |
AD45684
Formula: C8H9ON
Smiles:
CC(O)=Nc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 1 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 32.59 | NumAromaticRings: | 1 |
