Glycoside
GD138693
Name:
NoneFormula:
C23H25O4N2ClSmiles:
O=C(CC1OC(CNCc2cccc(Cl)c2)C(O)C1O)N1CCc2ccccc21Aglycone:
CC(=O)N1CCc2ccccc21.CNCc1cccc(Cl)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 416.91 | Num_heavy_atoms: | 29 |
| TPSA: | 82.03 | 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 |
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 |
