Glycoside
GD071649
Name:
NoneFormula:
C19H29O6N2Smiles:
O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
NCC1CCC[NH+](Cc2ccccc2)C1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.58 |
| AlogP: | -2.76 | Num_rotatable_bonds: | 9 |
| MolWt: | 381.45 | Num_heavy_atoms: | 27 |
| TPSA: | 131.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD33653
Formula: C13H21N2
Smiles:
NCC1CCC[NH+](Cc2ccccc2)C1| HBA: | 2 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 3 |
| MolWt: | 205.33 | Num_heavy_atoms: | 15 |
| TPSA: | 30.46 | NumAromaticRings: | 1 |
