Glycoside
GD082478
Name:
NoneFormula:
C19H26O6N2ClSmiles:
[NH3+]C1(Cc2cccc(Cl)c2)CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)CC1Aglycone:
[NH3+]C1(Cc2cccc(Cl)c2)CCNCC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -1.87 | Num_rotatable_bonds: | 7 |
| MolWt: | 401.87 | Num_heavy_atoms: | 27 |
| TPSA: | 145.94 | NumAromaticRings: | 1 |
Unique Aglycone
AD37058
Formula: C13H18N2Cl
Smiles:
[NH3+]C1(Cc2cccc(Cl)c2)CCNCC1| HBA: | 2 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 225.74 | Num_heavy_atoms: | 15 |
| TPSA: | 39.67 | NumAromaticRings: | 1 |
