Glycoside
GD148520
Name:
3,4,5-trihydroxy-6-(1-phenylbutoxy)oxane-2-carboxylic acidFormula:
C16H22O7Smiles:
CCCC(OC1OC(C(=O)O)C(O)C(O)C1O)c1ccccc1Aglycone:
CCCC(O)c1ccccc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 6 |
| MolWt: | 326.35 | Num_heavy_atoms: | 23 |
| TPSA: | 116.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD59431
Formula: C10H14O
Smiles:
CCCC(O)c1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 3 |
| MolWt: | 150.22 | Num_heavy_atoms: | 11 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
