Glycoside
GD012386
Name:
NoneFormula:
C18H20O4N2Cl2Smiles:
C=CCNC(=O)[C@@H]1O[C@H](CNCc2ccc(Cl)c(Cl)c2)[C@H](O)[C@H]1OAglycone:
C=CCNC=O.CNCc1ccc(Cl)c(Cl)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 7 |
| MolWt: | 375.25 | Num_heavy_atoms: | 24 |
| TPSA: | 90.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD00764
Formula: C10H9NCl2
Smiles:
CNCc1ccc(Cl)c(Cl)c1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.71 | Num_rotatable_bonds: | 2 |
| MolWt: | 190.07 | Num_heavy_atoms: | 11 |
| TPSA: | 12.03 | NumAromaticRings: | 1 |
AD05038
Formula: C4H7ON
Smiles:
C=CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 3 |
| MolWt: | 85.11 | Num_heavy_atoms: | 6 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
