Glycoside
GD076916
Name:
NoneFormula:
C19H31O5N4Smiles:
Cc1ccc(NC(=O)NC[C@H]2O[C@@H](CC(=O)NCC[NH+](C)C)[C@H](O)[C@@H]2O)cc1Aglycone:
CC(=O)NCC[NH+](C)C.CNC(=O)Nc1ccc(C)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | -1.74 | Num_rotatable_bonds: | 8 |
| MolWt: | 395.48 | Num_heavy_atoms: | 28 |
| TPSA: | 124.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD27256
Formula: C6H15ON2
Smiles:
CC(=O)NCC[NH+](C)C| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 3 |
| MolWt: | 131.2 | Num_heavy_atoms: | 9 |
| TPSA: | 33.54 | NumAromaticRings: | 0 |
AD33094
Formula: C9H12ON2
Smiles:
CNC(=O)Nc1ccc(C)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 164.21 | Num_heavy_atoms: | 12 |
| TPSA: | 41.13 | NumAromaticRings: | 1 |
