Glycoside
GD137678
Name:
2-Heptanol; (ζ)-Form, O-β-D-GlucopyranosideFormula:
C13H26O6Smiles:
CCCCCC(C)OC1OC(CO)C(O)C(O)C1OAglycone:
CCCCCC(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 7 |
| MolWt: | 278.34 | Num_heavy_atoms: | 19 |
| TPSA: | 99.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD17495
Formula: C7H16O
Smiles:
CCCCCC(C)O| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 4 |
| MolWt: | 116.2 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
