Glycoside
GD102062
Name:
NoneFormula:
C20H22O7NCl3Smiles:
CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)COAglycone:
CCCNCCOc1c(Cl)cc(Cl)cc1ClSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 11 |
| MolWt: | 458.72 | Num_heavy_atoms: | 28 |
| TPSA: | 127.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD43199
Formula: C14H14ONCl3
Smiles:
CCCNCCOc1c(Cl)cc(Cl)cc1Cl| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 4.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 282.6 | Num_heavy_atoms: | 16 |
| TPSA: | 21.26 | NumAromaticRings: | 1 |
