Glycoside
GD007088
Name:
NoneFormula:
C21H23O4N4ClSmiles:
CC(Cc1ccccc1)Nc1cc(Cl)nc2c1ncn2C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CC(Cc1ccccc1)Nc1cc(Cl)nc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 6 |
| MolWt: | 418.88 | Num_heavy_atoms: | 29 |
| TPSA: | 112.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD05793
Formula: C16H14N4Cl
Smiles:
CC(Cc1ccccc1)Nc1cc(Cl)nc2c1N=C[N]2| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 285.76 | Num_heavy_atoms: | 20 |
| TPSA: | 51.38 | NumAromaticRings: | 2 |
