Glycoside
GD082899
Name:
NoneFormula:
C20H28O6N3Smiles:
N#Cc1ccc(CN(C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)[C@H]2CC[C@H]([NH3+])CC2)cc1Aglycone:
N#Cc1ccc(CNC2CCC([NH3+])CC2)cc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -1.92 | Num_rotatable_bonds: | 8 |
| MolWt: | 406.46 | Num_heavy_atoms: | 29 |
| TPSA: | 169.73 | NumAromaticRings: | 1 |
Unique Aglycone
AD37128
Formula: C14H20N3
Smiles:
N#Cc1ccc(CNC2CCC([NH3+])CC2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 230.33 | Num_heavy_atoms: | 17 |
| TPSA: | 63.46 | NumAromaticRings: | 1 |
