Glycoside
GD067285
Name:
NoneFormula:
C18H29O5N2Smiles:
C[C@H]1C[C@@H](N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C[N@@H+]1Cc1ccccc1Aglycone:
CC1CC(N)C[NH+]1Cc1ccccc1Sugarmoiety:
O=CC(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.61 |
| AlogP: | -2.54 | Num_rotatable_bonds: | 9 |
| MolWt: | 353.44 | Num_heavy_atoms: | 25 |
| TPSA: | 114.46 | NumAromaticRings: | 1 |
Unique Aglycone
AD32119
Formula: C12H19N2
Smiles:
CC1CC(N)C[NH+]1Cc1ccccc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 191.3 | Num_heavy_atoms: | 14 |
| TPSA: | 30.46 | NumAromaticRings: | 1 |
