Glycoside
GD138360
Name:
Ustilipid F1Formula:
C30H54O12Smiles:
CCCCCCCCCCCCCC(=O)OC1C(OC(C)=O)C(CO)OC(OCC(O)C(O)CO)C1OC(=O)C(C)CAglycone:
CC(C)C(=O)O.CCCCCCCCCCCCCC(=O)OSugarmoiety:
CC(=O)OC1C(CO)OC(OCC(O)C(O)CO)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 2.55 | Num_rotatable_bonds: | 22 |
| MolWt: | 606.75 | Num_heavy_atoms: | 42 |
| TPSA: | 178.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD00350
Formula: C4H8O2
Smiles:
CC(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD05231
Formula: C14H28O2
Smiles:
CCCCCCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.93 |
| AlogP: | 4.77 | Num_rotatable_bonds: | 12 |
| MolWt: | 228.38 | Num_heavy_atoms: | 16 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
