Glycoside
GD118484
Name:
3-chloro-N-({5-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl}methyl)-4-fluorobenzamideFormula:
C23H22O5N2FClSmiles:
O=C(CC1OC(CN=C(O)c2ccc(F)c(Cl)c2)C(O)C1O)N1CCc2ccccc21Aglycone:
CC(=O)N1CCc2ccccc21.CN=C(O)c1ccc(F)c(Cl)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 2.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 448.88 | Num_heavy_atoms: | 31 |
| TPSA: | 102.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD21383
Formula: C10H11ON
Smiles:
CC(=O)N1CCc2ccccc21| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 0 |
| MolWt: | 161.2 | 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 |
