Glycoside
GD073132
Name:
NoneFormula:
C18H21O6N2ClSmiles:
O=C(C(=O)N1C[C@@H]2C[C@H]1CN2c1ccccc1Cl)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
Clc1ccccc1N1CC2CC1CN2Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 6 |
| MolWt: | 384.82 | Num_heavy_atoms: | 26 |
| TPSA: | 121.54 | NumAromaticRings: | 1 |
Unique Aglycone
AD33967
Formula: C12H13N2Cl
Smiles:
Clc1ccccc1N1CC2CC1CN2| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 1.89 | Num_rotatable_bonds: | 1 |
| MolWt: | 208.69 | Num_heavy_atoms: | 14 |
| TPSA: | 15.27 | NumAromaticRings: | 1 |
