Glycoside
GD069458
Name:
NoneFormula:
C17H22O6N2Smiles:
Cc1ccc2[nH]cc(CN(C)C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)c2c1Aglycone:
CNCc1c[nH]c2ccc(C)cc12Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 7 |
| MolWt: | 350.37 | Num_heavy_atoms: | 25 |
| TPSA: | 134.09 | NumAromaticRings: | 2 |
Unique Aglycone
AD32957
Formula: C11H14N2
Smiles:
CNCc1c[nH]c2ccc(C)cc12| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.27 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 174.25 | Num_heavy_atoms: | 13 |
| TPSA: | 27.82 | NumAromaticRings: | 2 |
