Glycoside
GD051166
Name:
NoneFormula:
C16H25O4N3Smiles:
CC(C)NC(=O)C[C@@H]1O[C@H](CNCc2ccccn2)[C@@H](O)[C@H]1OAglycone:
CC(=O)NC(C)C.CNCc1ccccn1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 7 |
| MolWt: | 323.39 | Num_heavy_atoms: | 23 |
| TPSA: | 103.71 | NumAromaticRings: | 1 |
Unique Aglycone
AD20141
Formula: C7H10N2
Smiles:
CNCc1ccccn1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 24.92 | NumAromaticRings: | 1 |
AD21589
Formula: C5H11ON
Smiles:
CC(=O)NC(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 1 |
| MolWt: | 101.15 | Num_heavy_atoms: | 7 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
