Glycoside
GD014832
Name:
NoneFormula:
C22H22O4N2Cl2Smiles:
O=C(NCc1ccccc1)[C@@H]1O[C@H](CNCc2ccc(Cl)c(Cl)c2)[C@H](O)[C@H]1OAglycone:
CNCc1ccc(Cl)c(Cl)c1.O=CNCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 7 |
| MolWt: | 425.31 | Num_heavy_atoms: | 28 |
| TPSA: | 90.82 | NumAromaticRings: | 2 |
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 |
AD03748
Formula: C8H9ON
Smiles:
O=CNCc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 3 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
