Glycoside
GD157191
Name:
2-[5-({[(3-chlorophenyl)methyl]amino}methyl)-3,4-dihydroxyoxolan-2-yl]-N-phenylacetamideFormula:
C21H23O4N2ClSmiles:
OC(CC1OC(CNCc2cccc(Cl)c2)C(O)C1O)=Nc1ccccc1Aglycone:
CC(O)=Nc1ccccc1.CNCc1cccc(Cl)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 7 |
| MolWt: | 390.87 | Num_heavy_atoms: | 27 |
| TPSA: | 94.31 | NumAromaticRings: | 2 |
Unique Aglycone
AD01294
Formula: C9H10NCl
Smiles:
CNCc1cccc(Cl)c1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 2 |
| MolWt: | 155.63 | Num_heavy_atoms: | 10 |
| TPSA: | 12.03 | 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 |
