Glycoside
GD044693
Name:
NoneFormula:
C12H18O5N2Smiles:
C#CCNC(=O)C[C@@H]1O[C@H](CNC(C)=O)[C@@H](O)[C@H]1OAglycone:
C#CCNC(C)=O.CNC(C)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -2.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 270.28 | Num_heavy_atoms: | 19 |
| TPSA: | 107.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD01019
Formula: C3H7ON
Smiles:
CNC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 0 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD24844
Formula: C5H7ON
Smiles:
C#CCNC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 97.12 | Num_heavy_atoms: | 7 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
