Glycoside
GD043852
Name:
NoneFormula:
C12H22O6N2Smiles:
COCCNC(=O)C[C@@H]1O[C@H](CNC(C)=O)[C@@H](O)[C@H]1OAglycone:
CNC(C)=O.COCCNC(C)=OSugarmoiety:
COCO.OC(O)C(O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | -2.24 | Num_rotatable_bonds: | 7 |
| MolWt: | 290.32 | Num_heavy_atoms: | 20 |
| TPSA: | 117.12 | 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 |
AD24971
Formula: C5H11O2N
Smiles:
COCCNC(C)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 117.15 | Num_heavy_atoms: | 8 |
| TPSA: | 38.33 | NumAromaticRings: | 0 |
