Glycoside
GD066800
Name:
NoneFormula:
C14H22O7N4Smiles:
CC(=O)N[C@H]1[C@H](OCCn2cc(C(C)=O)nn2)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
CC(=O)c1cn(CCO)nn1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -2.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 358.35 | Num_heavy_atoms: | 25 |
| TPSA: | 156.03 | NumAromaticRings: | 1 |
Unique Aglycone
AD26169
Formula: C6H9O2N3
Smiles:
CC(=O)c1cn(CCO)nn1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 155.16 | Num_heavy_atoms: | 11 |
| TPSA: | 68.01 | NumAromaticRings: | 1 |
