Glycoside
GD137842
Name:
N-[(5-{[benzyl(methyl)carbamoyl]methyl}-3,4-dihydroxyoxolan-2-yl)methyl]-2-ethylbutanamideFormula:
C21H32O5N2Smiles:
CCC(CC)C(O)=NCC1OC(CC(=O)N(C)Cc2ccccc2)C(O)C1OAglycone:
CC(=O)N(C)Cc1ccccc1.CCC(CC)C(O)=NCSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.62 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 9 |
| MolWt: | 392.5 | Num_heavy_atoms: | 28 |
| TPSA: | 102.59 | NumAromaticRings: | 1 |
Unique Aglycone
AD19490
Formula: C10H13ON
Smiles:
CC(=O)N(C)Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 163.22 | Num_heavy_atoms: | 12 |
| TPSA: | 20.31 | NumAromaticRings: | 1 |
AD47915
Formula: C7H15ON
Smiles:
CCC(CC)C(O)=NC| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 129.2 | Num_heavy_atoms: | 9 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
