Glycoside
GD141019
Name:
1-{[2-butoxy-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}pyrrolidin-2-oneFormula:
C14H25O6NSmiles:
CCCCOC1(CN2CCCC2=O)OC(CO)C(O)C1OAglycone:
CCCCO.CN1CCCC1=OSugarmoiety:
OCC1OC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 7 |
| MolWt: | 303.35 | Num_heavy_atoms: | 21 |
| TPSA: | 99.46 | NumAromaticRings: | 0 |
Unique Aglycone
AD00936
Formula: C4H10O
Smiles:
CCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 74.12 | Num_heavy_atoms: | 5 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD56844
Formula: C5H9ON
Smiles:
CN1CCCC1=O| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 0 |
| MolWt: | 99.13 | Num_heavy_atoms: | 7 |
| TPSA: | 20.31 | NumAromaticRings: | 0 |
