Glycoside
GD045140
Name:
NoneFormula:
C12H20O6N2Smiles:
C[C@@H]1O[C@@H](OCCNC(=O)[C@H](C)C#N)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
CC(C#N)C(=O)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | -1.89 | Num_rotatable_bonds: | 5 |
| MolWt: | 288.3 | Num_heavy_atoms: | 20 |
| TPSA: | 132.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD25207
Formula: C6H10O2N2
Smiles:
CC(C#N)C(=O)NCCO| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 142.16 | Num_heavy_atoms: | 10 |
| TPSA: | 73.12 | NumAromaticRings: | 0 |
