Glycoside
GD059310
Name:
NoneFormula:
C17H23O5N3Smiles:
O=C(C[C@@H]1O[C@H](CNC(=O)Nc2ccccc2)[C@@H](O)[C@H]1O)NC1CC1Aglycone:
CC(=O)NC1CC1.CNC(=O)Nc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 349.39 | Num_heavy_atoms: | 25 |
| TPSA: | 119.92 | NumAromaticRings: | 1 |
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 |
AD19521
Formula: C5H9ON
Smiles:
CC(=O)NC1CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 99.13 | Num_heavy_atoms: | 7 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
