Glycoside
GD131819
Name:
Ustilipid BFormula:
C34H60O13Smiles:
CCCCCCCCCCCCCCCC(=O)OC1C(OC(C)=O)C(COC(C)=O)OC(OCC(O)C(O)CO)C1OC(=O)CCCAglycone:
CCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.COC(C)=OSugarmoiety:
CC(=O)OCC1OC(O)C(O)C(OCC(O)C(O)CO)O1Other Identifiers
Properties
| HBA: | 13 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 4.04 | Num_rotatable_bonds: | 26 |
| MolWt: | 676.84 | Num_heavy_atoms: | 47 |
| TPSA: | 184.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD00263
Formula: C16H32O2
Smiles:
CCCCCCCCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.94 |
| AlogP: | 5.55 | Num_rotatable_bonds: | 14 |
| MolWt: | 256.43 | Num_heavy_atoms: | 18 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD00922
Formula: C4H8O2
Smiles:
CCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
