Glycoside
GD031730
Name:
NoneFormula:
C26H25O4N4ClSmiles:
C[C@H](NC(=O)[C@H](O)[C@H](O)C(=O)N1CC=C[C@H]1c1cccc(Cl)c1)c1ccc(-n2cccn2)cc1Aglycone:
CC(N)c1ccc(-n2cccn2)cc1.Clc1cccc(C2C=CCN2)c1Sugarmoiety:
O=C(O)C(O)C(O)C(=O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 480.95 | Num_heavy_atoms: | 34 |
| TPSA: | 107.69 | NumAromaticRings: | 3 |
Unique Aglycone
AD01153
Formula: C11H13N3
Smiles:
CC(N)c1ccc(-n2cccn2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.18 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 2 |
| MolWt: | 187.25 | Num_heavy_atoms: | 14 |
| TPSA: | 43.84 | NumAromaticRings: | 2 |
AD20424
Formula: C11H10NCl
Smiles:
Clc1cccc(C2C=CCN2)c1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 179.65 | Num_heavy_atoms: | 12 |
| TPSA: | 12.03 | NumAromaticRings: | 1 |
