Glycoside
GD057117
Name:
NoneFormula:
C13H20O8N2Smiles:
O=C(CO)N1CC2(C1)CN(C(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)C2Aglycone:
O=CN1CC2(C1)CN(C(=O)CO)C2Sugarmoiety:
OC1OOC(O)C(O)C1O.OCOOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.85 |
| AlogP: | -4.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 332.31 | Num_heavy_atoms: | 23 |
| TPSA: | 151.0 | NumAromaticRings: | 0 |
Unique Aglycone
AD28657
Formula: C8H12O3N2
Smiles:
O=CN1CC2(C1)CN(C(=O)CO)C2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | -1.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 184.19 | Num_heavy_atoms: | 13 |
| TPSA: | 60.85 | NumAromaticRings: | 0 |
