Glycoside
GD136623
Name:
N-[(5-{[benzyl(methyl)carbamoyl]methyl}-3,4-dihydroxyoxolan-2-yl)methyl]-3-chloro-4-fluorobenzamideFormula:
C23H24O5N2FClSmiles:
CN(Cc1ccccc1)C(=O)CC1OC(CN=C(O)c2ccc(F)c(Cl)c2)C(O)C1OAglycone:
CC(=O)N(C)Cc1ccccc1.CN=C(O)c1ccc(F)c(Cl)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 450.89 | Num_heavy_atoms: | 31 |
| TPSA: | 102.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD19490
Formula: C10H13ON
Smiles:
CC(=O)N(C)Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 163.22 | Num_heavy_atoms: | 12 |
| TPSA: | 20.31 | NumAromaticRings: | 1 |
AD47381
Formula: C9H7ONFCl
Smiles:
CN=C(O)c1ccc(F)c(Cl)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 1 |
| MolWt: | 187.6 | Num_heavy_atoms: | 12 |
| TPSA: | 32.59 | NumAromaticRings: | 1 |
