Glycoside
GD083331
Name:
NoneFormula:
C20H28O6N2ClSmiles:
O=C(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1Aglycone:
NC(=O)C1CCC[NH+](Cc2ccc(Cl)cc2)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.63 |
| AlogP: | -1.95 | Num_rotatable_bonds: | 5 |
| MolWt: | 415.89 | Num_heavy_atoms: | 28 |
| TPSA: | 123.69 | NumAromaticRings: | 1 |
Unique Aglycone
AD37211
Formula: C14H18ON2Cl
Smiles:
NC(=O)C1CCC[NH+](Cc2ccc(Cl)cc2)C1| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.46 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 3 |
| MolWt: | 253.75 | Num_heavy_atoms: | 17 |
| TPSA: | 47.53 | NumAromaticRings: | 1 |
