Glycoside
GD057891
Name:
NoneFormula:
C15H28O6N3Smiles:
C[NH+](C)CCN1CC2(C1)CN(C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)C2Aglycone:
C[NH+](C)CCN1CC2(CNC2)C1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.87 |
| AlogP: | -5.08 | Num_rotatable_bonds: | 8 |
| MolWt: | 346.4 | Num_heavy_atoms: | 24 |
| TPSA: | 125.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD29039
Formula: C9H20N3
Smiles:
C[NH+](C)CCN1CC2(CNC2)C1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 170.28 | Num_heavy_atoms: | 12 |
| TPSA: | 19.71 | NumAromaticRings: | 0 |
