Glycoside
GD001255
Name:
NoneFormula:
C14H18O4NClSmiles:
OC[C@@H]1O[C@H](CNCc2cccc(Cl)c2)[C@H](O)[C@H]1OAglycone:
CNCc1cccc(Cl)c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | -0.09 | Num_rotatable_bonds: | 5 |
| MolWt: | 287.74 | Num_heavy_atoms: | 19 |
| TPSA: | 81.95 | 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 |
