Glycoside
GD157780
Name:
N-({5-[(cyclopropylcarbamoyl)methyl]-3,4-dihydroxyoxolan-2-yl}methyl)-3-fluorobenzamideFormula:
C17H21O5N2FSmiles:
OC(CC1OC(CN=C(O)c2cccc(F)c2)C(O)C1O)=NC1CC1Aglycone:
CC(O)=NC1CC1.CN=C(O)c1cccc(F)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 352.36 | Num_heavy_atoms: | 25 |
| TPSA: | 114.87 | NumAromaticRings: | 1 |
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 |
AD45667
Formula: C5H9ON
Smiles:
CC(O)=NC1CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 99.13 | Num_heavy_atoms: | 7 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
