Glycoside
GD139706
Name:
2-[5-(acetamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-(2-methoxyethyl)acetamideFormula:
C12H22O6N2Smiles:
COCCN=C(O)CC1OC(CN=C(C)O)C(O)C1OAglycone:
CN=C(C)O.COCCN=C(C)OSugarmoiety:
COCO.OC(O)C(O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 7 |
| MolWt: | 290.32 | Num_heavy_atoms: | 20 |
| TPSA: | 124.1 | NumAromaticRings: | 0 |
Unique Aglycone
AD46272
Formula: C5H11O2N
Smiles:
COCCN=C(C)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 117.15 | Num_heavy_atoms: | 8 |
| TPSA: | 41.82 | NumAromaticRings: | 0 |
AD48116
Formula: C3H7ON
Smiles:
CN=C(C)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 0 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
