Glycoside
GD114467
Name:
N-[(3,4-dihydroxy-5-{[(prop-2-yn-1-yl)carbamoyl]methyl}oxolan-2-yl)methyl]-3-fluorobenzamideFormula:
C17H19O5N2FSmiles:
C#CCN=C(O)CC1OC(CN=C(O)c2cccc(F)c2)C(O)C1OAglycone:
C#CCN=C(C)O.CN=C(O)c1cccc(F)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 6 |
| MolWt: | 350.35 | Num_heavy_atoms: | 25 |
| TPSA: | 114.87 | NumAromaticRings: | 1 |
Unique Aglycone
AD45077
Formula: C5H7ON
Smiles:
C#CCN=C(C)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 97.12 | Num_heavy_atoms: | 7 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
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 |
