Glycoside
GD138553
Name:
2-[5-({[(3-chlorophenyl)methyl]amino}methyl)-3,4-dihydroxyoxolan-2-yl]-N-cyclopropylacetamideFormula:
C18H23O4N2ClSmiles:
OC(CC1OC(CNCc2cccc(Cl)c2)C(O)C1O)=NC1CC1Aglycone:
CC(O)=NC1CC1.CNCc1cccc(Cl)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.59 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 7 |
| MolWt: | 354.83 | Num_heavy_atoms: | 24 |
| TPSA: | 94.31 | NumAromaticRings: | 1 |
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 |
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 |
