Glycoside
GD076343
Name:
NoneFormula:
C16H25O6N5Smiles:
CC(=O)N[C@H]1[C@H](OCCn2cc(CCCC#N)nn2)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
N#CCCCc1cn(CCO)nn1Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -1.92 | Num_rotatable_bonds: | 9 |
| MolWt: | 383.41 | Num_heavy_atoms: | 27 |
| TPSA: | 162.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD29334
Formula: C8H12ON4
Smiles:
N#CCCCc1cn(CCO)nn1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 180.21 | Num_heavy_atoms: | 13 |
| TPSA: | 74.73 | NumAromaticRings: | 1 |
