Glycoside
GD085062
Name:
NoneFormula:
C17H24O9N2Smiles:
CC(=O)N[C@H](CC#N)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=OAglycone:
CC(=O)NCCC#NSugarmoiety:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(O)OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.65 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 10 |
| MolWt: | 400.38 | Num_heavy_atoms: | 28 |
| TPSA: | 158.09 | NumAromaticRings: | 0 |
Unique Aglycone
AD38076
Formula: C5H8ON2
Smiles:
CC(=O)NCCC#N| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 112.13 | Num_heavy_atoms: | 8 |
| TPSA: | 52.89 | NumAromaticRings: | 0 |
