Glycoside
GD116012
Name:
N-{2-[(benzyloxy)methyl]-4-hydroxy-5-methoxyoxolan-3-yl}-N-methylacetamideFormula:
C16H23O5NSmiles:
COC1OC(COCc2ccccc2)C(N(C)C(C)=O)C1OAglycone:
CNC(C)=O.COCc1ccccc1Sugarmoiety:
COC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.56 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 6 |
| MolWt: | 309.36 | Num_heavy_atoms: | 22 |
| TPSA: | 68.23 | NumAromaticRings: | 1 |
Unique Aglycone
AD00042
Formula: C8H10O
Smiles:
COCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
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 |
