Glycoside
GD085988
Name:
NoneFormula:
C22H25O5N3Smiles:
O=C(NC[C@H]1O[C@@H](CC(=O)N2CCc3ccccc32)[C@H](O)[C@@H]1O)Nc1ccccc1Aglycone:
CC(=O)N1CCc2ccccc21.CNC(=O)Nc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 5 |
| MolWt: | 411.46 | Num_heavy_atoms: | 30 |
| TPSA: | 111.13 | NumAromaticRings: | 2 |
Unique Aglycone
AD12829
Formula: C8H10ON2
Smiles:
CNC(=O)Nc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 1 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 41.13 | NumAromaticRings: | 1 |
AD21383
Formula: C10H11ON
Smiles:
CC(=O)N1CCc2ccccc21| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 0 |
| MolWt: | 161.2 | Num_heavy_atoms: | 12 |
| TPSA: | 20.31 | NumAromaticRings: | 1 |
