Glycoside
GD149519
Name:
Ustilipid CFormula:
C32H58O12Smiles:
CCCCCCCCCCCCCCCC(=O)OC1C(OC(C)=O)C(CO)OC(OCC(O)C(O)CO)C1OC(=O)C(C)CAglycone:
CC(C)C(=O)O.CCCCCCCCCCCCCCCC(=O)OSugarmoiety:
CC(=O)OC1C(CO)OC(OCC(O)C(O)CO)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | 3.33 | Num_rotatable_bonds: | 24 |
| MolWt: | 634.8 | Num_heavy_atoms: | 44 |
| TPSA: | 178.28 | NumAromaticRings: | 0 |
Unique Aglycone
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 |
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 |
