Glycoside
GD070825
Name:
NoneFormula:
C20H24O4N2Smiles:
Cc1ccc(NC[C@@]2(/N=C/c3ccccc3)O[C@@H](CO)[C@@H](O)[C@H]2O)cc1Aglycone:
CNc1ccc(C)cc1.N=Cc1ccccc1Sugarmoiety:
OCC1OC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 1.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 356.42 | Num_heavy_atoms: | 26 |
| TPSA: | 94.31 | NumAromaticRings: | 2 |
Unique Aglycone
AD13582
Formula: C8H11N
Smiles:
CNc1ccc(C)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 121.18 | Num_heavy_atoms: | 9 |
| TPSA: | 12.03 | NumAromaticRings: | 1 |
AD13583
Formula: C7H7N
Smiles:
N=Cc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 1 |
| MolWt: | 105.14 | Num_heavy_atoms: | 8 |
| TPSA: | 23.85 | NumAromaticRings: | 1 |
