Glycoside
GD047529
Name:
NoneFormula:
C14H27O6N2Smiles:
CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C1Aglycone:
CC(C)[NH+](C)C1CCNC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | -3.85 | Num_rotatable_bonds: | 7 |
| MolWt: | 319.38 | Num_heavy_atoms: | 22 |
| TPSA: | 122.74 | NumAromaticRings: | 0 |
Unique Aglycone
AD25543
Formula: C8H19N2
Smiles:
CC(C)[NH+](C)C1CCNC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 2 |
| MolWt: | 143.25 | Num_heavy_atoms: | 10 |
| TPSA: | 16.47 | NumAromaticRings: | 0 |
