Glycoside
GD095114
Name:
NoneFormula:
C20H24O7N2Cl2Smiles:
O=C(NC[C@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCO1)C(=O)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 9 |
| MolWt: | 451.3 | Num_heavy_atoms: | 29 |
| TPSA: | 139.56 | NumAromaticRings: | 1 |
Unique Aglycone
AD40618
Formula: C14H16ON2Cl2
Smiles:
NCC1CN(Cc2ccc(Cl)c(Cl)c2)CCO1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 275.18 | Num_heavy_atoms: | 17 |
| TPSA: | 38.49 | NumAromaticRings: | 1 |
