Glycoside
GD077431
Name:
5-(3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octyl)oxolan-2-oneFormula:
C18H32O8Smiles:
CCCCC[C@@H](CC[C@@H]1CCC(=O)O1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OAglycone:
CCCCCC(O)CCC1CCC(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.94 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 10 |
| MolWt: | 376.45 | Num_heavy_atoms: | 26 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD35496
Formula: C12H22O3
Smiles:
CCCCCC(O)CCC1CCC(=O)O1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.92 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 7 |
| MolWt: | 214.3 | Num_heavy_atoms: | 15 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
