Glycoside
GD061992
Name:
NoneFormula:
C17H22O5N2Smiles:
O=C(C[C@@H]1O[C@H](CNC(=O)C2CC2)[C@@H](O)[C@H]1O)Nc1ccccc1Aglycone:
CC(=O)Nc1ccccc1.CNC(=O)C1CC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 334.37 | Num_heavy_atoms: | 24 |
| TPSA: | 107.89 | NumAromaticRings: | 1 |
Unique Aglycone
AD16348
Formula: C5H9ON
Smiles:
CNC(=O)C1CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 1 |
| MolWt: | 99.13 | Num_heavy_atoms: | 7 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD19580
Formula: C8H9ON
Smiles:
CC(=O)Nc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
