Glycoside
GD032808
Name:
NoneFormula:
C16H28O8N4Smiles:
CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn([C@H](CCCCN)C(=O)O)nn2)[C@H]1OAglycone:
NCCCCC(C(=O)O)n1cc(CO)nn1Sugarmoiety:
COC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.81 |
| AlogP: | -2.0 | Num_rotatable_bonds: | 11 |
| MolWt: | 404.42 | Num_heavy_atoms: | 28 |
| TPSA: | 182.41 | NumAromaticRings: | 1 |
Unique Aglycone
AD20993
Formula: C9H16O3N4
Smiles:
NCCCCC(C(=O)O)n1cc(CO)nn1| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 7 |
| MolWt: | 228.25 | Num_heavy_atoms: | 16 |
| TPSA: | 114.26 | NumAromaticRings: | 1 |
